ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate
TL;DR: ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate (CAS 23593-51-3) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate
Also Known As: 3-Anilino-2-cyano-3-mercaptoacrylic acid ethyl ester, ethyl (e)-3-anilino-2-cyano-3-mercaptoacrylate, ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate, 3-Anilino-2-cyano-3-mercaptoacrylic acid ethylester, 3-ANILINO-2-CYANO-3-MERCAPTOACRYLICACIDETHYLESTER
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.32658 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 463.144 |
Chemical Identifiers
| CAS Number | 23593-51-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C(\NC1=CC=CC=C1)/S)/C#N |
Product Overview
ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate (CAS 23593-51-3), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate.
Chemical Property Profile of ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate
Property Insights of ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate
The XLogP value of 2.32658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate has 2 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 (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate?
The CAS number of ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate is 23593-51-3.
What is the molecular formula of ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate?
The molecular formula of ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate is C12H12N2O2S.
What is the molecular weight of ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate?
The molecular weight of ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate is 248.06 g/mol.
Where can I buy ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate?
You can request a quote for ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-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 (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.