3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid
TL;DR: 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid (CAS 339014-74-3) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxopropylsulfanyl)pyridine-2-carboxylic acid
Also Known As: 3-(2-oxopropylsulfanyl)pyridine-2-carboxylic acid, 3-[(2-oxopropyl)sulfanyl]-2-pyridinecarboxylic acid, AJ-333/36118024
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 1.4609 |
| Topological Polar Surface Area | 67.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 364.82962 |
Chemical Identifiers
| CAS Number | 339014-74-3 |
|---|---|
| SMILES | CC(=O)CSC1=C(N=CC=C1)C(=O)O |
Product Overview
3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid (CAS 339014-74-3), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 3-(2-oxopropylsulfanyl)pyridine-2-carboxylic acid.
Chemical Property Profile of 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid
Property Insights of 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid
The XLogP value of 1.4609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid. The TPSA of 67.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid has 1 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 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid?
The CAS number of 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid is 339014-74-3.
What is the molecular formula of 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid?
The molecular formula of 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid is C9H9NO3S.
What is the molecular weight of 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid?
The molecular weight of 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid is 211.03 g/mol.
Where can I buy 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid?
You can request a quote for 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxopropylsulfanyl)pyridine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.