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CAS 307353-95-3 3-Quinolinecarbonitrile, 4-chloro-6-hydroxy-7-Methoxy- molecular structure lightbox
CAS RN: 307353-95-3

3-Quinolinecarbonitrile, 4-chloro-6-hydroxy-7-Methoxy-

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Batchno.20250519 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS307353-95-3
  • Purity/Analytical Methods: >99.0%
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307353-95-3 / 4-chloro-6-hydroxy-7-methoxyquinoline-3-carbonitrile

Standard CAS: 307353-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
307353-95-3
Multi CAS
No
Molecular Formula
C11H7CLN2O2
Molecular Weight
234.640000
Exact Mass
234.019605
InChI
InChI=1S/C11H7ClN2O2/c1-16-10-3-8-7(2-9(10)15)11(12)6(4-13)5-14-8/h2-3,5,15H,1H3
InChIKey
VUEBXNBMTKMJQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.68
TPSA
66.14

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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