天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 1532-91-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1532-91-8
Chemical Structure| 1532-91-8
Structure of 1532-91-8 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1532-91-8 ]

Related Doc. of [ 1532-91-8 ]

Alternatived Products of [ 1532-91-8 ]
Product Citations

Product Details of [ 1532-91-8 ]

CAS No. :1532-91-8 MDL No. :MFCD00234490
Formula : C9H6ClN Boiling Point : -
Linear Structure Formula :- InChI Key :LBEQEEIDWHKVAR-UHFFFAOYSA-N
M.W : 163.60 Pubchem ID :640974
Synonyms :

Calculated chemistry of [ 1532-91-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.75
TPSA : 12.89 ?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) : -5.36 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.97
Log Po/w (XLOGP3) : 2.73
Log Po/w (WLOGP) : 2.89
Log Po/w (MLOGP) : 2.15
Log Po/w (SILICOS-IT) : 3.13
Consensus Log Po/w : 2.57

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.25
Solubility : 0.0926 mg/ml ; 0.000566 mol/l
Class : Soluble
Log S (Ali) : -2.65
Solubility : 0.362 mg/ml ; 0.00221 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.31
Solubility : 0.00807 mg/ml ; 0.0000493 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.24

Safety of [ 1532-91-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H302-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1532-91-8 ]

* 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 [ 1532-91-8 ]

[ 1532-91-8 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 119-65-3 ]
  • [ 1532-91-8 ]
YieldReaction ConditionsOperation in experiment
92% With [bis(acetoxy)iodo]benzene; chloroformic acid ethyl ester In 1,2-dichloro-ethane at 50℃; for 3 h; General procedure: To an 8 mL dram vial was added iodobenzene diacetate (0.6 mmol, 1.5 equiv), and heteroarene(0.4 mmol, 1 eq.), anhydrous dichloroethane (1 mL), then chloride source (5 equiv). The solutionwas allowed to stir (1000 rpm) at 50 °C for the indicated amount of time. After which the solutionwas washed with saturated sodium bicarbonate, followed by saturated sodium thiosulfate andconcentrated. The crude mixture was then purified by column chromatography.
Reference： [1] Chem, 2019, p. 417 - 428
  • 2
  • [ 23687-25-4 ]
  • [ 1532-91-8 ]
Reference： [1] Patent: US2005/20623, 2005, A1, . Location in patent: Page 104
  • 3
  • [ 3336-49-0 ]
  • [ 1532-91-8 ]
Reference： [1] Journal of the American Chemical Society, 1958, vol. 80, p. 3443,3448
  • 4
  • [ 108231-23-8 ]
  • [ 1532-91-8 ]
Reference： [1] Bulletin of the Polish Academy of Sciences, Chemistry, 1988, vol. 36, # 9-12, p. 417 - 424
  • 5
  • [ 120569-14-4 ]
  • [ 1532-91-8 ]
  • [ 119-61-9 ]
  • [ 67-72-1 ]
  • [ 983-79-9 ]
Reference： [1] Tetrahedron Letters, 1988, vol. 29, # 48, p. 6287 - 6290
  • 6
  • [ 94169-93-4 ]
  • [ 1532-91-8 ]
Reference： [1] Bulletin of the Polish Academy of Sciences, Chemistry, 1988, vol. 36, # 9-12, p. 417 - 424
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 1532-91-8 ]

Chlorides

Chemical Structure| 15298-58-5

[ 15298-58-5 ]

1,4-Dichloroisoquinoline

Similarity: 0.80

Chemical Structure| 5430-45-5

[ 5430-45-5 ]

5-Chloroisoquinoline

Similarity: 0.79

Chemical Structure| 70810-23-0

[ 70810-23-0 ]

1,5-Dichloroisoquinoline

Similarity: 0.76

Chemical Structure| 34784-07-1

[ 34784-07-1 ]

8-Chloroisoquinoline

Similarity: 0.75

Chemical Structure| 566943-99-5

[ 566943-99-5 ]

5-Chloroisoquinolin-6-amine

Similarity: 0.74

Related Parent Nucleus of
[ 1532-91-8 ]

Isoquinolines

Chemical Structure| 15298-58-5

[ 15298-58-5 ]

1,4-Dichloroisoquinoline

Similarity: 0.80

Chemical Structure| 5430-45-5

[ 5430-45-5 ]

5-Chloroisoquinoline

Similarity: 0.79

Chemical Structure| 70810-23-0

[ 70810-23-0 ]

1,5-Dichloroisoquinoline

Similarity: 0.76

Chemical Structure| 34784-07-1

[ 34784-07-1 ]

8-Chloroisoquinoline

Similarity: 0.75

Chemical Structure| 566943-99-5

[ 566943-99-5 ]

5-Chloroisoquinolin-6-amine

Similarity: 0.74

; ;