99.5%(GC)| A1455226|Formula:C9H7NO|Molecular Weight:145.1650000+ products instock " />

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[ CAS No. 148-24-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Chemical Structure| 148-24-3
Chemical Structure| 148-24-3
Structure of 148-24-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 148-24-3 ]

CAS No. :148-24-3 MDL No. :MFCD00006807
Formula : C9H7NO Boiling Point : -
Linear Structure Formula :- InChI Key :MCJGNVYPOGVAJF-UHFFFAOYSA-N
M.W : 145.16 Pubchem ID :1923
Synonyms :
8-Quinolinol;8-Oxychinolin;NSC 2039;Oxyquinoline;Oxine

Calculated chemistry of [ 148-24-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.77
TPSA : 33.12 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.65
Log Po/w (XLOGP3) : 2.02
Log Po/w (WLOGP) : 1.94
Log Po/w (MLOGP) : 1.19
Log Po/w (SILICOS-IT) : 2.01
Consensus Log Po/w : 1.76

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.69
Solubility : 0.3 mg/ml ; 0.00206 mol/l
Class : Soluble
Log S (Ali) : -2.34
Solubility : 0.659 mg/ml ; 0.00454 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.1
Solubility : 0.115 mg/ml ; 0.000791 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.07

Safety of [ 148-24-3 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P202-P261-P264-P270-P272-P273-P280-P301+P310+P330-P302+P352-P305+P351+P338+P310-P308+P313-P333+P313-P391-P405-P501 UN#:2811
Hazard Statements:H301-H317-H318-H360-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 148-24-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 148-24-3 ]
  • Downstream synthetic route of [ 148-24-3 ]

[ 148-24-3 ] Synthesis Path-Upstream   1~16

  • 1
  • [ 148-24-3 ]
  • [ 103987-81-1 ]
Reference: [1] Dalton Transactions, 2006, # 19, p. 2288 - 2290
  • 2
  • [ 148-24-3 ]
  • [ 10380-28-6 ]
YieldReaction ConditionsOperation in experiment
71.21% With potassium hydroxide In ethanolReflux General procedure: Cu (II) and Co (II) ions was synthesized by modifyingliterature methods8.1mmole of 8-hydroxyquinolinewas dissolved in alcoholic KOH. This solution wasadded drop wise to the solution of 1mmole metalsalt in alcohol. The reaction mixture was reuxedfor appropriate time. The solid product was obtainedafter completion of the reaction.The ligand 8-Hydroxyquinoline with Ni (II),Cu (II) and Co (II) ions was synthesized by modifyingliterature methods8.1mmole of 8-hydroxyquinolinewas dissolved in alcoholic KOH. This solution wasadded drop wise to the solution of 1mmole metalsalt in alcohol. The reaction mixture was reuxedfor appropriate time. The solid product was obtainedafter completion of the reaction.
Reference: [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 23, p. 10448 - 10459
[2] Oriental Journal of Chemistry, 2016, vol. 32, # 6, p. 2999 - 3013
[3] Chemische Berichte, 1985, vol. 118, # 4, p. 1556 - 1563
  • 3
  • [ 148-24-3 ]
  • [ 6046-93-1 ]
  • [ 10380-28-6 ]
Reference: [1] Journal of Solid State Chemistry, 1993, vol. 106, p. 451 - 460
[2] Canadian Journal of Chemistry, 1983, vol. 61, p. 2154 - 2158
[3] Research on Chemical Intermediates, 2015, vol. 41, # 8, p. 5703 - 5712
  • 4
  • [ 148-24-3 ]
  • [ 10380-28-6 ]
Reference: [1] Journal of the American Chemical Society, 1957, vol. 79, p. 4041
[2] Gmelin Handbuch, Gmelin Handbook: Cu: MVol.B4, 116, page 1696 - 1699,
  • 5
  • [ 148-24-3 ]
  • [ 10380-28-6 ]
Reference: [1] Theoretical and Experimental Chemistry, 1989, vol. 25, p. 97 - 101[2] Teoreticheskaya i Eksperimental'naya Khimiya, 1989, vol. 25, p. 108 - 112
[3] Industrial and Engineering Chemistry, Analytical Edition, 1943, vol. 15, p. 346 - 349
[4] Analyst (Cambridge, United Kingdom), 1933, vol. 58, p. 388 - 395
[5] , 1937, vol. 26, p. 391 - 413
[6] Gmelin Handbuch, Gmelin Handbook: Cu: MVol.B4, 116, page 1696 - 1699,
[7] Gmelin Handbuch, Gmelin Handbook: Cu: MVol.B4, 116, page 1696 - 1699,
  • 6
  • [ 148-24-3 ]
  • [ 142-71-2 ]
  • [ 10380-28-6 ]
Reference: [1] Kinetics and Catalysis, 1985, vol. 26, p. 50 - 57[2] Kinetika i Kataliz, 1985, vol. 26, p. 61 - 68
[3] Gazzetta Chimica Italiana, 1923, vol. 53, p. 605 - 616
[4] Monatshefte fuer Chemie, [5] Monatshefte fuer Chemie, 1882, vol. 3, p. 531 - 569
[6] Gmelin Handbuch, Gmelin Handbook: Cu: MVol.B4, 116, page 1696 - 1699,
[7] Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry, 1990, vol. 29, # 5, p. 454 - 457
  • 7
  • [ 148-24-3 ]
  • [ 10380-28-6 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1988, vol. 61, # 5, p. 1761 - 1766
[2] Zeitschrift fuer Naturforschung, Teil B: Chemical Sciences, [3] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1995, vol. 50, p. 524 - 528
[4] Zeitschrift fuer Naturforschung, Teil B: Chemical Sciences, [5] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1995, vol. 50, p. 524 - 528
  • 8
  • [ 148-24-3 ]
  • [ 10380-28-6 ]
Reference: [1] Zeitschrift fuer Naturforschung, Teil B: Chemical Sciences, [2] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1995, vol. 50, p. 524 - 528
[3] Spectrochimica Acta, 1956, vol. 8, p. 1 - 8
[4] Zeitschrift fuer Naturforschung, Teil B: Chemical Sciences, [5] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1995, vol. 50, p. 524 - 528
[6] Gmelin Handbuch, Gmelin Handbook: Cu: MVol.B4, 116, page 1696 - 1699,
  • 9
  • [ 148-24-3 ]
  • [ 10380-28-6 ]
Reference: [1] Zeitschrift fuer Naturforschung, Teil B: Chemical Sciences, [2] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1995, vol. 50, p. 524 - 528
[3] Spectrochimica Acta, 1956, vol. 8, p. 1 - 8
[4] Zeitschrift fuer Naturforschung, Teil B: Chemical Sciences, [5] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1995, vol. 50, p. 524 - 528
[6] Gmelin Handbuch, Gmelin Handbook: Cu: MVol.B4, 116, page 1696 - 1699,
  • 10
  • [ 148-24-3 ]
  • [ 34946-82-2 ]
  • [ 10380-28-6 ]
Reference: [1] Dalton Transactions, 2017, vol. 46, # 44, p. 15330 - 15339
  • 11
  • [ 148-24-3 ]
  • [ 12775-96-1 ]
  • [ 10380-28-6 ]
  • [ 1333-74-0 ]
Reference: [1] Russian Journal of Physical Chemistry, 1980, vol. 54, # 12, p. 1784 - 1786[2] Zhurnal Fizicheskoi Khimii, 1980, vol. 54, p. 3118 - 3122
  • 12
  • [ 148-24-3 ]
  • [ 12775-96-1 ]
  • [ 10380-28-6 ]
Reference: [1] Helvetica Chimica Acta, 1925, vol. 8, p. 596 - 602
[2] Gmelin Handbuch, Gmelin Handbook: Cu: MVol.B4, 116, page 1696 - 1699,
  • 13
  • [ 148-24-3 ]
  • [ 10380-28-6 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1984, vol. 57, # 6, p. 1675 - 1676
  • 14
  • [ 148-24-3 ]
  • [ 10380-28-6 ]
Reference: [1] Thermochimica Acta, 1984, vol. 81, p. 223 - 230
  • 15
  • [ 148-24-3 ]
  • [ 7758-99-8 ]
  • [ 10380-28-6 ]
Reference: [1] Investigational New Drugs, 2017, vol. 35, # 6, p. 682 - 690
  • 16
  • [ 1148-79-4 ]
  • [ 148-24-3 ]
  • [ 6046-93-1 ]
  • [ 10380-28-6 ]
  • [ 443913-66-4 ]
Reference: [1] Dalton Transactions, 2017, vol. 46, # 44, p. 15330 - 15339
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