![2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid structure](/static/products/2441/244125-86-8.webp)
2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid
TL;DR: 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid (CAS 244125-86-8) is a chemical compound with molecular formula C15H6F7NO3S and molecular weight 413.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluoro-4-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanylbenzoic acid
Also Known As: 2,3,5,6-tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid, 2,3,5,6-tetrafluoro-4-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanylbenzoic acid, 2,3,5,6-tetrafluoro-4-({[(2,3,4-trifluorophenyl)carbamoyl]methyl}sulfanyl)benzoic acid, 2,3,5,6-tetrafluoro-4-[(2,3,4-trifluorophenyl)carbamoylmethylsulfanyl]benzoic Acid
| Molecular Formula | C15H6F7NO3S |
|---|---|
| Molecular Weight | 413.00 g/mol |
| LogP | 4.0893 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.99567 |
| Heavy Atoms | 27 |
| Complexity | 922.7334 |
Chemical Identifiers
| CAS Number | 244125-86-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1NC(=O)CSC2=C(C(=C(C(=C2F)F)C(=O)O)F)F)F)F)F |
Product Overview
2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid (CAS 244125-86-8), with molecular formula C15H6F7NO3S and molecular weight 413.00 g/mol. IUPAC: 2,3,5,6-tetrafluoro-4-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid
Property Insights of 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid
The XLogP value of 4.0893 indicates that 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid has 2 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 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid?
The CAS number of 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid is 244125-86-8.
What is the molecular formula of 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid?
The molecular formula of 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid is C15H6F7NO3S.
What is the molecular weight of 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid?
The molecular weight of 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid is 413.00 g/mol.
Where can I buy 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid?
You can request a quote for 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluoro-4-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thio}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.