2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester
TL;DR: 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester (CAS 32827-64-8) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-2-cyano-3-sulfanylprop-2-enoate
Also Known As: ethyl 3-amino-2-cyano-3-sulfanylprop-2-enoate, 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester, Ethyl 3-amino-2-cyano-3-sulfanyl-prop-2-enoate, 2-Propenoic acid,3-amino-2-cyano-3-mercapto-,ethyl ester
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 0.17318 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 225.227 |
Chemical Identifiers
| CAS Number | 32827-64-8 |
|---|---|
| SMILES | CCOC(=O)C(=C(N)S)C#N |
Product Overview
2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester (CAS 32827-64-8), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: ethyl 3-amino-2-cyano-3-sulfanylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester
Property Insights of 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester
The XLogP value of 0.17318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester 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 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester?
The CAS number of 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester is 32827-64-8.
What is the molecular formula of 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester?
The molecular formula of 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester is C6H8N2O2S.
What is the molecular weight of 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester?
The molecular weight of 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester is 172.03 g/mol.
Where can I buy 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester?
You can request a quote for 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.