2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile (CAS 331867-64-2) is a chemical compound with molecular formula C19H16IN3O2 and molecular weight 445.03 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-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile
Also Known As: BAS 00652672, (E)-2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile, A1566/0068272, 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile, (2E)-2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C19H16IN3O2 |
|---|---|
| Molecular Weight | 445.03 g/mol |
| LogP | 4.63898 |
| Topological Polar Surface Area | 70.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.02872 |
| Heavy Atoms | 25 |
| Complexity | 952.98816 |
Chemical Identifiers
| CAS Number | 331867-64-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1I)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC |
Product Overview
2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile (CAS 331867-64-2), with molecular formula C19H16IN3O2 and molecular weight 445.03 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile
The XLogP value of 4.63898 indicates that 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)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-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile is 331867-64-2.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile is C19H16IN3O2.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile is 445.03 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)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-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.