3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-
TL;DR: 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- (CAS 127183-39-5) is a chemical compound with molecular formula C9H6F3NO3S and molecular weight 265.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3,3-trifluoro-2-oxopropyl)sulfanylpyridine-3-carboxylic acid
Also Known As: 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-, 2-(3,3,3-trifluoro-2-oxopropyl)sulfanylpyridine-3-carboxylic acid, 3-Pyridinecarboxylicacid, 2-[(3,3,3-trifluoro-2-oxopropyl)thio]-, 2-(3,3,3-trifluoro-2-oxo-propyl)sulfanylpyridine-3-carboxylic Acid, 2-[(3,3,3-TRIFLUORO-2-OXOPROPYL)SULFANYL]PYRIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C9H6F3NO3S |
|---|---|
| Molecular Weight | 265.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.00204 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 127183-39-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC(=O)C(F)(F)F)C(=O)O |
| InChIKey | BBZTXPKNQDJELY-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- (CAS 127183-39-5), with molecular formula C9H6F3NO3S and molecular weight 265.00 g/mol. IUPAC: 2-(3,3,3-trifluoro-2-oxopropyl)sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-
Property Insights of 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- has 1 hydrogen bond donor(s) and 8 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, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
The CAS number of 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- is 127183-39-5.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
The molecular formula of 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- is C9H6F3NO3S.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
The molecular weight of 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- is 265.00 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
You can request a quote for 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- 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, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.