2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile (CAS 63572-67-8) is a chemical compound with molecular formula C11H8ClN3O and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile
Also Known As: 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile, 1H-Benzimidazole-2-acetonitrile, a-(chloroacetyl)-, 2-(1H-1,3-BENZODIAZOL-2-YL)-4-CHLORO-3-OXOBUTANENITRILE, J1.674.836F, 2-benzimidazol-2-yl-4-chloro-3-oxobutanenitrile
| Molecular Formula | C11H8ClN3O |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 1.97798 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.03558 |
| Heavy Atoms | 16 |
| Complexity | 536.8585 |
Chemical Identifiers
| CAS Number | 63572-67-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)CCl |
Product Overview
2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile (CAS 63572-67-8), with molecular formula C11H8ClN3O and molecular weight 233.04 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile
The XLogP value of 1.97798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile is 63572-67-8.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile is C11H8ClN3O.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile is 233.04 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-4-chloro-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.