CAS RN: 81831-68-7
2-(CHLOROMETHYL)-5-METHYLPYRAZINE
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.20260101 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81831-68-7
- Purity/Analytical Methods: >99.0%
81831-68-7 / 2-(chloromethyl)-5-methylpyrazine
Basic Information
CAS
81831-68-7
Multi CAS
Yes
Molecular Formula
C6H7CLN2
Molecular Weight
142.580000
Exact Mass
142.029776
InChI
InChI=1S/C6H7ClN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3
InChIKey
DDGKEWIOOGLGAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.33
TPSA
25.78
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
0.6
Consensus LogP
1.15
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.51
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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