Ethyl 2-cyano-3,3-bis(benzylthio)acrylate
TL;DR: Ethyl 2-cyano-3,3-bis(benzylthio)acrylate (CAS 19607-34-2) is a chemical compound with molecular formula C20H19NO2S2 and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-bis(benzylsulfanyl)-2-cyanoprop-2-enoate
Also Known As: ethyl 2-cyano-3,3-bis(benzylthio)acrylate, ethyl 3,3-bis(benzylsulfanyl)-2-cyanoprop-2-enoate, J2.625.499J, 2-Cyano-3,3-bis(benzylthio)acrylic acid ethyl ester, 2-Propenoic acid, 2-cyano-3,3-bis[(phenylmethyl)thio]-, ethyl ester
| Molecular Formula | C20H19NO2S2 |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 5.15148 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.08572 |
| Heavy Atoms | 25 |
| Complexity | 706.77057 |
Chemical Identifiers
| CAS Number | 19607-34-2 |
|---|---|
| SMILES | CCOC(=O)C(=C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)C#N |
Product Overview
Ethyl 2-cyano-3,3-bis(benzylthio)acrylate (CAS 19607-34-2), with molecular formula C20H19NO2S2 and molecular weight 369.09 g/mol. IUPAC: ethyl 3,3-bis(benzylsulfanyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3,3-bis(benzylthio)acrylate
Property Insights of Ethyl 2-cyano-3,3-bis(benzylthio)acrylate
The XLogP value of 5.15148 indicates that Ethyl 2-cyano-3,3-bis(benzylthio)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyano-3,3-bis(benzylthio)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3,3-bis(benzylthio)acrylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-cyano-3,3-bis(benzylthio)acrylate?
The CAS number of Ethyl 2-cyano-3,3-bis(benzylthio)acrylate is 19607-34-2.
What is the molecular formula of Ethyl 2-cyano-3,3-bis(benzylthio)acrylate?
The molecular formula of Ethyl 2-cyano-3,3-bis(benzylthio)acrylate is C20H19NO2S2.
What is the molecular weight of Ethyl 2-cyano-3,3-bis(benzylthio)acrylate?
The molecular weight of Ethyl 2-cyano-3,3-bis(benzylthio)acrylate is 369.09 g/mol.
Where can I buy Ethyl 2-cyano-3,3-bis(benzylthio)acrylate?
You can request a quote for Ethyl 2-cyano-3,3-bis(benzylthio)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-3,3-bis(benzylthio)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3,3-bis(benzylthio)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.