4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid
TL;DR: 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid (CAS 85567-44-8) is a chemical compound with molecular formula C9H8ClF3N2O4S and molecular weight 331.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-sulfamoyl-2-(2,2,2-trifluoroethylamino)benzoic acid
Also Known As: EINECS 287-757-2, 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid, 4-chloro-5-sulfamoyl-2-(2,2,2-trifluoroethylamino)benzoic acid, 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulfamoylanthranilic acid, 4-CHLORO-5-SULFAMOYL-2-[(2,2,2-TRIFLUOROETHYL)AMINO]BENZOIC ACID
| Molecular Formula | C9H8ClF3N2O4S |
|---|---|
| Molecular Weight | 331.98 g/mol |
| LogP | 1.6598 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.98453 |
| Heavy Atoms | 20 |
| Complexity | 645.3281 |
Chemical Identifiers
| CAS Number | 85567-44-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1S(=O)(=O)N)Cl)NCC(F)(F)F)C(=O)O |
Product Overview
4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid (CAS 85567-44-8), with molecular formula C9H8ClF3N2O4S and molecular weight 331.98 g/mol. IUPAC: 4-chloro-5-sulfamoyl-2-(2,2,2-trifluoroethylamino)benzoic acid.
Chemical Property Profile of 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid
Property Insights of 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid
The XLogP value of 1.6598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid. Following Lipinski's Rule of Five, 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid has 3 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 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid?
The CAS number of 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid is 85567-44-8.
What is the molecular formula of 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid?
The molecular formula of 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid is C9H8ClF3N2O4S.
What is the molecular weight of 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid?
The molecular weight of 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid is 331.98 g/mol.
Where can I buy 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid?
You can request a quote for 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.