2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid
TL;DR: 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid (CAS 40134-22-3) is a chemical compound with molecular formula C13H9F3N2O2S and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid
Also Known As: 2-[[3-[(Trifluoromethyl)thio]phenyl]amino]-3-pyridinecarboxylic acid, 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid, 2-{3-[(Trifluoromethyl)sulfanyl]anilino}pyridine-3-carboxylic acid, 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid, RefChem:249285
| Molecular Formula | C13H9F3N2O2S |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 4.1353 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0337 |
| Heavy Atoms | 21 |
| Complexity | 661.8598 |
Chemical Identifiers
| CAS Number | 40134-22-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(F)(F)F)NC2=C(C=CC=N2)C(=O)O |
Product Overview
2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid (CAS 40134-22-3), with molecular formula C13H9F3N2O2S and molecular weight 314.03 g/mol. IUPAC: 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid
Property Insights of 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid
The XLogP value of 4.1353 indicates that 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid. Following Lipinski's Rule of Five, 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid has 2 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 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid?
The CAS number of 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid is 40134-22-3.
What is the molecular formula of 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid?
The molecular formula of 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid is C13H9F3N2O2S.
What is the molecular weight of 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid?
The molecular weight of 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid is 314.03 g/mol.
Where can I buy 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid?
You can request a quote for 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-((Trifluoromethyl)thio)phenyl)amino)-3-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.