3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-
TL;DR: 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)- (CAS 91718-65-9) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-phenylsulfanylpyridine-3-carboxylic acid
Also Known As: 10H-Phenoxazine,4-methyl, 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-, 6-methyl-2-(phenylsulfanyl)pyridine-3-carboxylic acid, 6-Methyl-2-(phenylthio)nicotinic acid, 6-Methyl-2-(phenylthio)nicotinicacid
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 3.23942 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 540.37067 |
Chemical Identifiers
| CAS Number | 91718-65-9 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)C(=O)O)SC2=CC=CC=C2 |
Product Overview
3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)- (CAS 91718-65-9), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 6-methyl-2-phenylsulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-
Property Insights of 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-
The XLogP value of 3.23942 indicates that 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 6-methyl-2-(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, 6-methyl-2-(phenylthio)-?
The CAS number of 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)- is 91718-65-9.
What is the molecular formula of 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-?
The molecular formula of 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)- is C13H11NO2S.
What is the molecular weight of 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-?
The molecular weight of 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)- is 245.05 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-?
You can request a quote for 3-Pyridinecarboxylic acid, 6-methyl-2-(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, 6-methyl-2-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.