CAS RN: 1956319-38-2
2-(Chloromethyl)-6-methylpyrazine hydrochloride
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.20250706 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC900420
1956319-38-2 / 2-(chloromethyl)-6-methylpyrazine;hydrochloride
Basic Information
CAS
1956319-38-2
Multi CAS
No
Molecular Formula
C6H8Cl2N2
Molecular Weight
179.040000
Exact Mass
178.006454
SMILES
CC1=CN=CC(=N1)CCl.Cl
InChI
InChI=1S/C6H7ClN2.ClH/c1-5-3-8-4-6(2-7)9-5;/h3-4H,2H2,1H3;1H
InChIKey
MJHRDGFWYBXHLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.57
TPSA
25.78
LogP / Solubility
WLOGP
1.95
MLOGP
1.71
XLogP3
1.95
Consensus LogP
1.87
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.43
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
