CAS RN: 31892-41-8
1H-Benzimidazole-1-carbonitrile(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.20260514 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS31892-41-8
- Purity/Analytical Methods: >99.0%
31892-41-8 / benzimidazole-1-carbonitrile
Basic Information
CAS
31892-41-8
Multi CAS
No
Molecular Formula
C8H5N3
Molecular Weight
143.150000
Exact Mass
143.048347
InChI
InChI=1S/C8H5N3/c9-5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6H
InChIKey
SGCJHVTWXFWDOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
40.74
TPSA
41.61
LogP / Solubility
WLOGP
1.37
MLOGP
1.19
XLogP3
1.6
Consensus LogP
1.39
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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