3-Pyridinecarboxylic acid, 5-(phenylthio)-
TL;DR: 3-Pyridinecarboxylic acid, 5-(phenylthio)- (CAS 893723-56-3) is a chemical compound with molecular formula C12H9NO2S and molecular weight 231.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylsulfanylpyridine-3-carboxylic acid
Also Known As: 3-Pyridinecarboxylic acid, 5-(phenylthio)-, 5-phenylsulfanylpyridine-3-carboxylic Acid, 5-(Phenylthio)-3-pyridinecarboxylic acid, 5-(Phenylsulfanyl)pyridine-3-carboxylic acid
| Molecular Formula | C12H9NO2S |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | 2.931 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.0354 |
| Heavy Atoms | 16 |
| Complexity | 499.38177 |
Chemical Identifiers
| CAS Number | 893723-56-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CN=CC(=C2)C(=O)O |
Product Overview
3-Pyridinecarboxylic acid, 5-(phenylthio)- (CAS 893723-56-3), with molecular formula C12H9NO2S and molecular weight 231.04 g/mol. IUPAC: 5-phenylsulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 5-(phenylthio)-
Property Insights of 3-Pyridinecarboxylic acid, 5-(phenylthio)-
The XLogP value of 2.931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 5-(phenylthio)-. With a topological polar surface area (TPSA) of 50.19 Ų, 3-Pyridinecarboxylic acid, 5-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 5-(phenylthio)- has 1 hydrogen bond donor(s) and 3 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-Pyridinecarboxylic acid, 5-(phenylthio)-?
The CAS number of 3-Pyridinecarboxylic acid, 5-(phenylthio)- is 893723-56-3.
What is the molecular formula of 3-Pyridinecarboxylic acid, 5-(phenylthio)-?
The molecular formula of 3-Pyridinecarboxylic acid, 5-(phenylthio)- is C12H9NO2S.
What is the molecular weight of 3-Pyridinecarboxylic acid, 5-(phenylthio)-?
The molecular weight of 3-Pyridinecarboxylic acid, 5-(phenylthio)- is 231.04 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 5-(phenylthio)-?
You can request a quote for 3-Pyridinecarboxylic acid, 5-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 5-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 5-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.