Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester
TL;DR: Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester (CAS 89407-42-1) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-pyridin-2-ylsulfanylpropanoate
Also Known As: TimTec1_000074, ethoxycarbonylethylthiopyridine, ethyl 3-(2-pyridylthio)propanoate, ethyl 3-pyridin-2-ylsulfanylpropanoate, Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 89407-42-1 |
|---|---|
| SMILES | CCOC(=O)CCSC1=CC=CC=N1 |
| InChIKey | IVAPRNFKTHBHCJ-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester (CAS 89407-42-1), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: ethyl 3-pyridin-2-ylsulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester
Property Insights of Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3-(2-pyridinylthio)-, 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 Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester?
The CAS number of Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester is 89407-42-1.
What is the molecular formula of Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester?
The molecular formula of Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester is C10H13NO2S.
What is the molecular weight of Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester?
The molecular weight of Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester is 211.07 g/mol.
Where can I buy Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester?
You can request a quote for Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.