Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate
TL;DR: Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate (CAS 62309-97-1) 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 (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
Also Known As: ethyl 2-cyano-3-(2-thienyl)acrylate, ethylcyanothienylacrylate, alpha-Cyano-2-thiopheneacrylic acid ethyl ester, ethyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate, Ethyl 2-cyano-3-(thiophen-2-yl)acrylate
| 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 | 62309-97-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=CS1)/C#N |
| InChIKey | RULXBTAXOUSEDI-SOFGYWHQSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate (CAS 62309-97-1), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: ethyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate
Property Insights of Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate. Following Lipinski's Rule of Five, Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate 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 (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
The CAS number of Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate is 62309-97-1.
What is the molecular formula of Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
The molecular formula of Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate is C10H9NO2S.
What is the molecular weight of Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
The molecular weight of Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate is 207.04 g/mol.
Where can I buy Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
You can request a quote for Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.