CAS RN: 477776-17-3
Quinoxaline, 6-(chloromethyl)-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250728 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS477776-17-3
- Purity/Analytical Methods: >99.0%
477776-17-3 / 6-(chloromethyl)quinoxaline
Basic Information
CAS
477776-17-3
Multi CAS
No
Molecular Formula
C9H7CLN2
Molecular Weight
178.620000
Exact Mass
178.029776
InChI
InChI=1S/C9H7ClN2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6H2
InChIKey
JWTIXUPQTZMEOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.1
TPSA
25.78
LogP / Solubility
WLOGP
2.37
MLOGP
2.08
XLogP3
1.6
Consensus LogP
2.02
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-2.13
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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