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CAS 73863-46-4 2-chloro-3,7-dimethylquinoline molecular structure lightbox
CAS RN: 73863-46-4

2-chloro-3,7-dimethylquinoline

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3 package records2 with current stock1 grade group
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Batchno.20251017 100mg Out of stock Inquiry
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  • Product code: starshine_CAS73863-46-4
  • Purity/Analytical Methods: >99.0%
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73863-46-4 / 2-chloro-3,7-dimethylquinoline

Standard CAS: 73863-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73863-46-4
Multi CAS
No
Molecular Formula
C11H10CLN
Molecular Weight
191.650000
Exact Mass
191.050177
InChI
InChI=1S/C11H10ClN/c1-7-3-4-9-6-8(2)11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKey
VRCFMOSCDFQGJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
56.23
TPSA
12.89

LogP / Solubility

WLOGP
3.51
MLOGP
3.08
XLogP3
3.9
Consensus LogP
3.5
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

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)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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