Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester
TL;DR: Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester (CAS 92256-45-6) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(4-ethoxyanilino)-3-sulfanylidenepropanoate
Also Known As: CYANO-(4-ETHOXY-PHENYLTHIOCARBAMOYL)-ACETIC ACID ETHYL ESTER, Ethyl 2-cyano-2-[(4-ethoxyphenyl)thiocarbamoyl]acetate, ethyl 2-cyano-3-(4-ethoxyanilino)-3-sulfanylidenepropanoate, 685-019-8, RefChem:580137
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 2.52748 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 508.14545 |
Chemical Identifiers
| CAS Number | 92256-45-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)C(C#N)C(=O)OCC |
Product Overview
Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester (CAS 92256-45-6), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: ethyl 2-cyano-3-(4-ethoxyanilino)-3-sulfanylidenepropanoate.
Chemical Property Profile of Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester
Property Insights of Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester
The XLogP value of 2.52748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester. Following Lipinski's Rule of Five, Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester 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 Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester?
The CAS number of Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester is 92256-45-6.
What is the molecular formula of Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester?
The molecular formula of Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester is C14H16N2O3S.
What is the molecular weight of Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester?
The molecular weight of Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester is 292.09 g/mol.
Where can I buy Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester?
You can request a quote for Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyano-(4-ethoxy-phenylthiocarbamoyl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.