(2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
TL;DR: (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile (CAS 838818-15-8) is a chemical compound with molecular formula C19H16N4O3 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
Also Known As: (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile, (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile, (E)-2-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)acrylonitrile, 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)acrylonitrile
| Molecular Formula | C19H16N4O3 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 4.16072 |
| Topological Polar Surface Area | 104.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.12225 |
| Heavy Atoms | 26 |
| Complexity | 1051.0927 |
Chemical Identifiers
| CAS Number | 838818-15-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC(=C(C=C3)OC)[N+](=O)[O-])/C#N |
Product Overview
(2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile (CAS 838818-15-8), with molecular formula C19H16N4O3 and molecular weight 348.12 g/mol. IUPAC: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
Property Insights of (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
The XLogP value of 4.16072 indicates that (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 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-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile?
The CAS number of (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile is 838818-15-8.
What is the molecular formula of (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile?
The molecular formula of (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile is C19H16N4O3.
What is the molecular weight of (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile?
The molecular weight of (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile is 348.12 g/mol.
Where can I buy (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile?
You can request a quote for (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-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-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.