2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester
TL;DR: 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester (CAS 25943-56-0) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
Also Known As: ethyl2-cyano-3- prop-2-enoate, BAS 00220975, ethyl 2-cyano-3-(3,4-dimethoxyphenyl)acrylate, 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester, ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 25943-56-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC)OC)/C#N |
| InChIKey | PRSFEPRXXOXYKF-YRNVUSSQSA-N |
Product Overview
2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester (CAS 25943-56-0), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester
Property Insights of 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester. Following Lipinski's Rule of Five, 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester has 0 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 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester?
The CAS number of 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester is 25943-56-0.
What is the molecular formula of 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester?
The molecular formula of 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester is C14H15NO4.
What is the molecular weight of 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester?
The molecular weight of 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester is 261.10 g/mol.
Where can I buy 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester?
You can request a quote for 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.