2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester (CAS 90280-04-9) is a chemical compound with molecular formula C12H11NO2S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-phenylsulfanylprop-2-enoate
Also Known As: ethyl 2-cyano-3-phenylsulfanylprop-2-enoate, NCI60_005307, 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester, ethyl 2-cyano-3-(phenylsulfanyl)prop-2-enoate, 2-Propenoic acid,2-cyano-3-(phenylthio)-,ethyl ester
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 90280-04-9 |
|---|---|
| SMILES | CCOC(=O)C(=CSC1=CC=CC=C1)C#N |
| InChIKey | KUYYTPLVSGNMKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester (CAS 90280-04-9), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: ethyl 2-cyano-3-phenylsulfanylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester has 0 hydrogen bond donor(s) and 4 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, 2-cyano-3-(phenylthio)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester is 90280-04-9.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester is C12H11NO2S.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester is 233.05 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(phenylthio)-, 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, 2-cyano-3-(phenylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(phenylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.