![2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid structure](/static/products/402/402923-60-8.png)
2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid
TL;DR: 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid (CAS 402923-60-8) is a chemical compound with molecular formula C16H10F3NO5 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-oxalo-3-(trifluoromethyl)anilino]benzoic acid
Also Known As: Benzoicacid,2-[ [3- phenyl]amino]-, 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid, 2-[oxalo-[3-(trifluoromethyl)phenyl]amino]benzoic Acid, Benzoic acid, 2-[(carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino]-
| Molecular Formula | C16H10F3NO5 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 3.1529 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.05112 |
| Heavy Atoms | 25 |
| Complexity | 847.659 |
Chemical Identifiers
| CAS Number | 402923-60-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=O)O |
Product Overview
2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid (CAS 402923-60-8), with molecular formula C16H10F3NO5 and molecular weight 353.05 g/mol. IUPAC: 2-[N-oxalo-3-(trifluoromethyl)anilino]benzoic acid.
Chemical Property Profile of 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid
Property Insights of 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid
The XLogP value of 3.1529 indicates that 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}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-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid?
The CAS number of 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid is 402923-60-8.
What is the molecular formula of 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid?
The molecular formula of 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid is C16H10F3NO5.
What is the molecular weight of 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid?
The molecular weight of 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid is 353.05 g/mol.
Where can I buy 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid?
You can request a quote for 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]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-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{(Carboxycarbonyl)[3-(trifluoromethyl)phenyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.