![ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate structure](/static/products/5533/5533-26-6.webp)
ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate
TL;DR: ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate (CAS 5533-26-6) 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.
ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate
Also Known As: MixCom6_000875, DivK1c_005307, CDS1_004267, ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate, Ethyl {4-[2-(1H-1,3-benzimidazol-2-yl)-2-cyanoethen-1-yl]-2-methoxyphenoxy}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 | 5533-26-6 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC |
Product Overview
ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate (CAS 5533-26-6), with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol. IUPAC: ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate
Property Insights of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate
The XLogP value of 3.57758 indicates that ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]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 ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate. Following Lipinski's Rule of Five, ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]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 ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate?
The CAS number of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate is 5533-26-6.
What is the molecular formula of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate?
The molecular formula of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate is C21H19N3O4.
What is the molecular weight of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate?
The molecular weight of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate is 377.14 g/mol.
Where can I buy ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate?
You can request a quote for ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.