2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid
TL;DR: 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid (CAS 959290-86-9) is a chemical compound with molecular formula C9H6F3NO4 and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid
Also Known As: 2-hydroxy-3-(trifluoroacetamido)benzoic acid, 2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid, 2-Hydroxy-3-(2,2,2-trifluoro-acetylamino)-benzoic acid, 2-Hydroxy-3-[(trifluoroacetyl)amino]benzoic acid #, 2-Hydroxy-3-(2,2,2-trifluoroacetamido)benzoic acid
| Molecular Formula | C9H6F3NO4 |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.02489 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 959290-86-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)NC(=O)C(F)(F)F)O)C(=O)O |
| InChIKey | LCPMOPPECHOHOY-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid (CAS 959290-86-9), with molecular formula C9H6F3NO4 and molecular weight 249.02 g/mol. IUPAC: 2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid.
Chemical Property Profile of 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid
Property Insights of 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid. Following Lipinski's Rule of Five, 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid has 3 hydrogen bond donor(s) and 7 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-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid?
The CAS number of 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid is 959290-86-9.
What is the molecular formula of 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid?
The molecular formula of 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid is C9H6F3NO4.
What is the molecular weight of 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid?
The molecular weight of 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid is 249.02 g/mol.
Where can I buy 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid?
You can request a quote for 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)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-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-((2,2,2-trifluoroacetyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.