![3-[(Trifluoroacetyl)amino]benzoic acid structure](/static/products/4876/4876-10-2.webp)
3-[(Trifluoroacetyl)amino]benzoic acid
TL;DR: 3-[(Trifluoroacetyl)amino]benzoic acid (CAS 4876-10-2) is a chemical compound with molecular formula C9H6F3NO3 and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,2,2-trifluoroacetyl)amino]benzoic acid
Also Known As: 3-[(trifluoroacetyl)amino]benzoic acid, 3-(trifluoroacetamido)benzoic acid, Benzoic acid, 3-(trifluoroacetylamino)-, 3-[(2,2,2-trifluoroacetyl)amino]benzoic acid, Benzoicacid, 3-[(2,2,2-trifluoroacetyl)amino]-
| Molecular Formula | C9H6F3NO3 |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.02998 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 4876-10-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C(F)(F)F)C(=O)O |
| InChIKey | OWVHKHGMKQTLGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(Trifluoroacetyl)amino]benzoic acid (CAS 4876-10-2), with molecular formula C9H6F3NO3 and molecular weight 233.03 g/mol. IUPAC: 3-[(2,2,2-trifluoroacetyl)amino]benzoic acid.
Chemical Property Profile of 3-[(Trifluoroacetyl)amino]benzoic acid
Property Insights of 3-[(Trifluoroacetyl)amino]benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Trifluoroacetyl)amino]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Trifluoroacetyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(Trifluoroacetyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 6 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-[(Trifluoroacetyl)amino]benzoic acid?
The CAS number of 3-[(Trifluoroacetyl)amino]benzoic acid is 4876-10-2.
What is the molecular formula of 3-[(Trifluoroacetyl)amino]benzoic acid?
The molecular formula of 3-[(Trifluoroacetyl)amino]benzoic acid is C9H6F3NO3.
What is the molecular weight of 3-[(Trifluoroacetyl)amino]benzoic acid?
The molecular weight of 3-[(Trifluoroacetyl)amino]benzoic acid is 233.03 g/mol.
Where can I buy 3-[(Trifluoroacetyl)amino]benzoic acid?
You can request a quote for 3-[(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 3-[(Trifluoroacetyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Trifluoroacetyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.