Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate
TL;DR: Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate (CAS 61485-25-4) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate
Also Known As: ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate, ethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoate, ethyl (Z)-3-anilino-2-cyano-3-(methylsulfanyl)-2-propenoate, ethyl 2-cyano-3-methylthio-3-phenylaminoacrylate, ethyl 3-phenylamino-3-methylthio-2-cyanoacrylate
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.75978 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 477.51465 |
Chemical Identifiers
| CAS Number | 61485-25-4 |
|---|---|
| SMILES | CCOC(=O)C(=C(NC1=CC=CC=C1)SC)C#N |
Product Overview
Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate (CAS 61485-25-4), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate.
Chemical Property Profile of Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate
Property Insights of Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate
The XLogP value of 2.75978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-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-anilino-2-cyano-3-methylsulfanylprop-2-enoate?
The CAS number of Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate is 61485-25-4.
What is the molecular formula of Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate?
The molecular formula of Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate is C13H14N2O2S.
What is the molecular weight of Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate?
The molecular weight of Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate is 262.08 g/mol.
Where can I buy Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate?
You can request a quote for Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-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-anilino-2-cyano-3-methylsulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.