Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate
TL;DR: Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate (CAS 57202-71-8) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-(2-methoxyanilino)-3-sulfanylprop-2-enoate
Also Known As: ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate, ethyl (Z)-2-cyano-3-(2-methoxyanilino)-3-sulfanylprop-2-enoate, ethyl 2-cyano-3-[(2-methoxyphenyl)amino]-3-sulfanylprop-2-enoate
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.33518 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 534.935 |
Chemical Identifiers
| CAS Number | 57202-71-8 |
|---|---|
| SMILES | CCOC(=O)/C(=C(/NC1=CC=CC=C1OC)\S)/C#N |
Product Overview
Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate (CAS 57202-71-8), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: ethyl (Z)-2-cyano-3-(2-methoxyanilino)-3-sulfanylprop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate
Property Insights of Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate
The XLogP value of 2.33518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate has 2 hydrogen bond donor(s) and 6 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-mercapto-3-(2-methoxyanilino)acrylate?
The CAS number of Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate is 57202-71-8.
What is the molecular formula of Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate?
The molecular formula of Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate is C13H14N2O3S.
What is the molecular weight of Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate?
The molecular weight of Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate is 278.07 g/mol.
Where can I buy Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate?
You can request a quote for Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)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-mercapto-3-(2-methoxyanilino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-mercapto-3-(2-methoxyanilino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.