2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile (CAS 64446-15-7) is a chemical compound with molecular formula C16H10ClN3O and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile
Also Known As: BAS 00417096, 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile, (Z)-2-(1H-benzo[d]imidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile, (Z)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile, 2-(1H-Benzoimidazol-2-yl)-3-(4-chloro-phenyl)-3-hydroxy-acrylonitrile
| Molecular Formula | C16H10ClN3O |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 4.16618 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.05124 |
| Heavy Atoms | 21 |
| Complexity | 839.4235 |
Chemical Identifiers
| CAS Number | 64446-15-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C(/C3=CC=C(C=C3)Cl)\O)/C#N |
Product Overview
2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile (CAS 64446-15-7), with molecular formula C16H10ClN3O and molecular weight 295.05 g/mol. IUPAC: (Z)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile
The XLogP value of 4.16618 indicates that 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile has 2 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)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile is 64446-15-7.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile is C16H10ClN3O.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile is 295.05 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile 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)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-hydroxyacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.