(E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile
TL;DR: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile (CAS 663201-58-9) is a chemical compound with molecular formula C25H21N3O2 and molecular weight 395.16 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-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile
Also Known As: AB01324602-02, (2E)-2-(1H-benzimidazol-2-yl)-3-[4-(benzyloxy)-3-ethoxyphenyl]prop-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile, (2E)-2-benzimidazol-2-yl-3-[3-ethoxy-4-(phenylmethoxy)phenyl]prop-2-enenitrile, 2-(1H-benzoimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile
| Molecular Formula | C25H21N3O2 |
|---|---|
| Molecular Weight | 395.16 g/mol |
| LogP | 5.60478 |
| Topological Polar Surface Area | 70.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.1634 |
| Heavy Atoms | 30 |
| Complexity | 1187.1165 |
Chemical Identifiers
| CAS Number | 663201-58-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=CC=CC=C4 |
Product Overview
(E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile (CAS 663201-58-9), with molecular formula C25H21N3O2 and molecular weight 395.16 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile
Property Insights of (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile
The XLogP value of 5.60478 indicates that (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile 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 (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile?
The CAS number of (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile is 663201-58-9.
What is the molecular formula of (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile?
The molecular formula of (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile is C25H21N3O2.
What is the molecular weight of (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile?
The molecular weight of (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile is 395.16 g/mol.
Where can I buy (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile?
You can request a quote for (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)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 (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.