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[ CAS No. 148332-36-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 148332-36-9
Chemical Structure| 148332-36-9
Structure of 148332-36-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 148332-36-9 ]

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Product Details of [ 148332-36-9 ]

CAS No. :148332-36-9 MDL No. :MFCD04114290
Formula : C16H11N3O2 Boiling Point : No data available
Linear Structure Formula :HO2CC5H2N(C5H4N)2 InChI Key :ZYTWXMBGOUJDHJ-UHFFFAOYSA-N
M.W : 277.28 Pubchem ID :2762749
Synonyms :

Calculated chemistry of [ 148332-36-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 77.66
TPSA : 75.97 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.19
Log Po/w (XLOGP3) : 1.49
Log Po/w (WLOGP) : 2.9
Log Po/w (MLOGP) : -0.37
Log Po/w (SILICOS-IT) : 2.83
Consensus Log Po/w : 1.81

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.93
Solubility : 0.323 mg/ml ; 0.00116 mol/l
Class : Soluble
Log S (Ali) : -2.69
Solubility : 0.563 mg/ml ; 0.00203 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.69
Solubility : 0.000571 mg/ml ; 0.00000206 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.55

Safety of [ 148332-36-9 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338-P310 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 148332-36-9 ]

* 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.

  • Downstream synthetic route of [ 148332-36-9 ]

[ 148332-36-9 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 90050-70-7 ]
  • [ 17997-47-6 ]
  • [ 148332-36-9 ]
  • [ 148332-31-4 ]
  • 2
  • (2R,5S,13R,16S)-5,16-Bis-(4-amino-butyl)-7,18-bis-(2,4-dimethoxy-benzyl)-2,13-diisobutyl-1,4,7,10,11,12,15,18,21,22-decaaza-tricyclo[18.2.1.19,12]tetracosa-9(24),10,20(23),21-tetraene-3,6,14,17-tetraone [ No CAS ]
  • [ 148332-36-9 ]
  • C80H90N18O10 [ No CAS ]
  • 3
  • [ 148332-36-9 ]
  • 5'-DMTO-d(TGTGACG[2'-O-(4-aminobutyl)uridylyl]ATCACATT-LCAA-CPG (protected) [ No CAS ]
  • 5'-HO-d(TGTGACG)-{2'-O-[N-(2,2':6',2''-terpyridine-4'-carbonyl)-4-aminobutyl]uridylyl}-d(ATCACATT)-OH [ No CAS ]
  • 4
  • [ 99-11-6 ]
  • [ 148332-36-9 ]
  • 5
  • [ 2016-99-1 ]
  • [ 148332-36-9 ]
  • 6
  • ammonium hexafluorophosphate [ No CAS ]
  • dichlorotetrakis(dimethylsulfoxide)ruthenium(II) [ No CAS ]
  • [ 148332-36-9 ]
  • bis(4'-carboxy-2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluorophosphate) [ No CAS ]
  • 7
  • ammonium hexafluorophosphate [ No CAS ]
  • Ru(2+)*NC5H2(C6H4PO(OC2H5)2)(C5H4N)2*2Cl(1-)*(CH3)2SO=Ru(NC5H2(C6H4PO(OC2H5)2)(C5H4N)2)((CH3)2SO)Cl2 [ No CAS ]
  • [ 148332-36-9 ]
  • (Ru(NC5H2(C6H4PO(OC2H5)2)(C5H4N)2)(NC5H2(COOH)(C5H4N)2))(2+)*2PF6(1-)=(Ru(N3C15H10C6H4PO(OC2H5)2)(N3C15H10COOH))(PF6)2 [ No CAS ]
  • 8
  • ruthenium(III) chloride trihydrate [ No CAS ]
  • [ 148332-36-9 ]
  • [ 1220636-36-1 ]
  • 9
  • [ 10049-08-8 ]
  • [ 148332-36-9 ]
  • [ 1220636-36-1 ]
  • 11
  • [ 1926-80-3 ]
  • [ 148332-36-9 ]
  • [ 1332851-01-0 ]
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