Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate
TL;DR: Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate (CAS 400081-13-2) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-2-hydroxy-3-thiophen-2-ylprop-2-enoate
Also Known As: ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate, ethyl (Z)-3-cyano-2-hydroxy-3-(2-thienyl)-2-propenoate, ethyl 3-cyano-2-hydroxy-3-thiophen-2-ylprop-2-enoate, Ethyl 3-cyano-2-hydroxy-3-thiophen-2-yl-prop-2-enoate
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 2.10388 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 414.37595 |
Chemical Identifiers
| CAS Number | 400081-13-2 |
|---|---|
| SMILES | CCOC(=O)C(=C(C#N)C1=CC=CS1)O |
Product Overview
Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate (CAS 400081-13-2), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: ethyl 3-cyano-2-hydroxy-3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate
Property Insights of Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate
The XLogP value of 2.10388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate has 1 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 Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate?
The CAS number of Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate is 400081-13-2.
What is the molecular formula of Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate?
The molecular formula of Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate is C10H9NO3S.
What is the molecular weight of Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate?
The molecular weight of Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate is 223.03 g/mol.
Where can I buy Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate?
You can request a quote for Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-2-hydroxy-3-(thiophen-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.