(2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile
TL;DR: (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile (CAS 371144-48-8) is a chemical compound with molecular formula C17H12N4O2 and molecular weight 304.10 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-(4-nitrophenyl)but-2-enenitrile
Also Known As: (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile, (2E)-2-benzimidazol-2-yl-3-(4-nitrophenyl)but-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile
| Molecular Formula | C17H12N4O2 |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 3.92538 |
| Topological Polar Surface Area | 95.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.09604 |
| Heavy Atoms | 23 |
| Complexity | 929.1721 |
Chemical Identifiers
| CAS Number | 371144-48-8 |
|---|---|
| SMILES | C/C(=C(/C#N)\C1=NC2=CC=CC=C2N1)/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile (CAS 371144-48-8), with molecular formula C17H12N4O2 and molecular weight 304.10 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile.
Chemical Property Profile of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile
Property Insights of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile
The XLogP value of 3.92538 indicates that (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile 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 (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile 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 (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile?
The CAS number of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile is 371144-48-8.
What is the molecular formula of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile?
The molecular formula of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile is C17H12N4O2.
What is the molecular weight of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile?
The molecular weight of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile is 304.10 g/mol.
Where can I buy (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile?
You can request a quote for (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.