CAS RN: 483287-37-2
2-CHLORO-6-METHYLQUINOLINE-3-CARBONITRILE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS483287-37-2
- Purity/Analytical Methods: >99.0%
483287-37-2 / 2-chloro-6-methylquinoline-3-carbonitrile
Basic Information
CAS
483287-37-2
Multi CAS
No
Molecular Formula
C11H7CLN2
Molecular Weight
202.640000
Exact Mass
202.029776
InChI
InChI=1S/C11H7ClN2/c1-7-2-3-10-8(4-7)5-9(6-13)11(12)14-10/h2-5H,1H3
InChIKey
SJNJYVWUJJNMSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
H-bond acceptors
2
Molar refractivity
56.21
TPSA
36.68
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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