Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate
TL;DR: Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate (CAS 1164525-39-6) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate, BAS 00673241, ethyl (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enoate, 2-Cyano-3-(5-ethyl-thiophen-2-yl)-acrylic acid ethyl ester
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 1164525-39-6 |
|---|---|
| SMILES | CCC1=CC=C(S1)/C=C(/C#N)\C(=O)OCC |
| InChIKey | BKJNRBJOGKPVGQ-CLFYSBASSA-N |
Product Overview
Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate (CAS 1164525-39-6), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: ethyl (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate
Property Insights of Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate
The XLogP value of 3.0 indicates that Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate has 0 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 Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate?
The CAS number of Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate is 1164525-39-6.
What is the molecular formula of Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate?
The molecular formula of Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate is C12H13NO2S.
What is the molecular weight of Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate?
The molecular weight of Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate is 235.07 g/mol.
Where can I buy Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate?
You can request a quote for Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.