![2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid structure](/static/products/3247/324779-95-5.webp)
2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid
TL;DR: 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid (CAS 324779-95-5) is a chemical compound with molecular formula C14H10ClNO3S and molecular weight 307.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
Also Known As: BIM-0037162.P001, AF-399/12926057, 2-[2-(4-chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)nicotinic acid, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}nicotinic acid
| Molecular Formula | C14H10ClNO3S |
|---|---|
| Molecular Weight | 307.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.007 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 324779-95-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | OYRSUNANXRLGEF-UHFFFAOYSA-N |
Product Overview
2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid (CAS 324779-95-5), with molecular formula C14H10ClNO3S and molecular weight 307.01 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid
Property Insights of 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid
The XLogP value of 3.3 indicates that 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid 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 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid?
The CAS number of 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid is 324779-95-5.
What is the molecular formula of 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid?
The molecular formula of 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid is C14H10ClNO3S.
What is the molecular weight of 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid?
The molecular weight of 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid is 307.01 g/mol.
Where can I buy 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid?
You can request a quote for 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.