Ethyl 2-cyano-3-(2-thienyl)acrylate
TL;DR: Ethyl 2-cyano-3-(2-thienyl)acrylate (CAS 31330-51-5) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-thiophen-2-ylprop-2-enoate
Also Known As: ethyl 2-cyano-3-(2-thienyl)acrylate, Ethyl 2-cyano-3-(thiophen-2-yl)acrylate, alpha-Cyano-2-thiopheneacrylic acid ethyl ester, Ethyl 2-cyano-3-(2-thienyl)-2-propenoate, ethyl 2-cyano-3-thiophen-2-ylprop-2-enoate
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 31330-51-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CS1)C#N |
| InChIKey | RULXBTAXOUSEDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-3-(2-thienyl)acrylate (CAS 31330-51-5), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: ethyl 2-cyano-3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(2-thienyl)acrylate
Property Insights of Ethyl 2-cyano-3-(2-thienyl)acrylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(2-thienyl)acrylate. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(2-thienyl)acrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(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-(2-thienyl)acrylate?
The CAS number of Ethyl 2-cyano-3-(2-thienyl)acrylate is 31330-51-5.
What is the molecular formula of Ethyl 2-cyano-3-(2-thienyl)acrylate?
The molecular formula of Ethyl 2-cyano-3-(2-thienyl)acrylate is C10H9NO2S.
What is the molecular weight of Ethyl 2-cyano-3-(2-thienyl)acrylate?
The molecular weight of Ethyl 2-cyano-3-(2-thienyl)acrylate is 207.04 g/mol.
Where can I buy Ethyl 2-cyano-3-(2-thienyl)acrylate?
You can request a quote for Ethyl 2-cyano-3-(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-(2-thienyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(2-thienyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.