Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester
TL;DR: Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester (CAS 59649-38-6) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(pyridin-2-ylamino)-3-sulfanylidenepropanoate
Also Known As: CYANO-(PYRIDIN-2-YLTHIOCARBAMOYL)-ACETIC ACID ETHYL ESTER, Ethyl 2-cyano-2-(pyridin-2-ylthiocarbamoyl)acetate, ethyl 2-cyano-3-(pyridin-2-ylamino)-3-sulfanylidenepropanoate, 654-972-1, RefChem:580138
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.52378 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 441.77982 |
Chemical Identifiers
| CAS Number | 59649-38-6 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(=S)NC1=CC=CC=N1 |
Product Overview
Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester (CAS 59649-38-6), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: ethyl 2-cyano-3-(pyridin-2-ylamino)-3-sulfanylidenepropanoate.
Chemical Property Profile of Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester
Property Insights of Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester
The XLogP value of 1.52378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester. Following Lipinski's Rule of Five, Cyano-(pyridin-2-ylthiocarbamoyl)-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-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester?
The CAS number of Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester is 59649-38-6.
What is the molecular formula of Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester?
The molecular formula of Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester is C11H11N3O2S.
What is the molecular weight of Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester?
The molecular weight of Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester is 249.06 g/mol.
Where can I buy Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester?
You can request a quote for Cyano-(pyridin-2-ylthiocarbamoyl)-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-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyano-(pyridin-2-ylthiocarbamoyl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.