![methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate structure](/static/products/663/663201-16-9.png)
methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate
TL;DR: methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate (CAS 663201-16-9) is a chemical compound with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]acetate
Also Known As: BAS 07775121, (E)-methyl 2-(4-(2-(1H-benzo[d]imidazol-2-yl)-2-cyanovinyl)-2-ethoxyphenoxy)acetate, methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate, methyl 2-[4-((1E)-2-benzimidazol-2-yl-2-cyanovinyl)-2-ethoxyphenoxy]acetate, methyl 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]acetate
| Molecular Formula | C21H19N3O4 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 3.57758 |
| Topological Polar Surface Area | 97.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.13754 |
| Heavy Atoms | 28 |
| Complexity | 1029.9431 |
Chemical Identifiers
| CAS Number | 663201-16-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC(=O)OC |
Product Overview
methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate (CAS 663201-16-9), with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol. IUPAC: methyl 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]acetate.
Chemical Property Profile of methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate
Property Insights of methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate
The XLogP value of 3.57758 indicates that methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.23 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate. Following Lipinski's Rule of Five, methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate has 1 hydrogen bond donor(s) and 6 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 methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate?
The CAS number of methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate is 663201-16-9.
What is the molecular formula of methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate?
The molecular formula of methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate is C21H19N3O4.
What is the molecular weight of methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate?
The molecular weight of methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate is 377.14 g/mol.
Where can I buy methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate?
You can request a quote for methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.