2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile
TL;DR: 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile (CAS 79613-24-4) is a chemical compound with molecular formula C16H10N4O2 and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: BRD-K66763349-001-01-7, A1329/0060113, (2E)-2-benzimidazol-2-yl-3-(3-nitrophenyl)prop-2-enenitrile, 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile, (2E)-2-(1H-Benzimidazol-2-yl)-3-(3-nitrophenyl)-2-propenenitrile
| Molecular Formula | C16H10N4O2 |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 3.53528 |
| Topological Polar Surface Area | 95.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.08038 |
| Heavy Atoms | 22 |
| Complexity | 901.4689 |
Chemical Identifiers
| CAS Number | 79613-24-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
Product Overview
2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile (CAS 79613-24-4), with molecular formula C16H10N4O2 and molecular weight 290.08 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile
Property Insights of 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile
The XLogP value of 3.53528 indicates that 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile. Following Lipinski's Rule of Five, 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile has 1 hydrogen bond donor(s) and 4 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-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile?
The CAS number of 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile is 79613-24-4.
What is the molecular formula of 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile?
The molecular formula of 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile is C16H10N4O2.
What is the molecular weight of 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile?
The molecular weight of 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile is 290.08 g/mol.
Where can I buy 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile?
You can request a quote for 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.