CAS RN: 767-01-1
Pyridine, 2-(chloromethyl)-5-methyl- (6CI,7CI,8CI,9CI)
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.20251027 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS767-01-1
- Purity/Analytical Methods: >99.0%
767-01-1 / 2-(chloromethyl)-5-methylpyridine
Basic Information
CAS
767-01-1
Multi CAS
Yes
Molecular Formula
C7H8CLN
Molecular Weight
141.600000
Exact Mass
141.034527
InChI
InChI=1S/C7H8ClN/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,4H2,1H3
InChIKey
MXOPKPMEGUYUCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38.53
TPSA
12.89
LogP / Solubility
WLOGP
2.13
MLOGP
1.87
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
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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