4-(Trifluoromethyl)anthranilic acid
TL;DR: 4-(Trifluoromethyl)anthranilic acid (CAS 402-13-1) is a chemical compound with molecular formula C8H6F3NO2 and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(trifluoromethyl)benzoic acid
Also Known As: 2-amino-4-(trifluoromethyl)benzoic acid, 4-(Trifluoromethyl)anthranilic acid, 2-amino-4-trifluoromethylbenzoic acid, 4-trifluoromethylanthranilic acid, HEXYL2-MERCAPTOACETATE
| Molecular Formula | C8H6F3NO2 |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.03506 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 402-13-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O |
| InChIKey | NQTLZJODEOHALT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethyl)anthranilic acid (CAS 402-13-1), with molecular formula C8H6F3NO2 and molecular weight 205.04 g/mol. IUPAC: 2-amino-4-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 4-(Trifluoromethyl)anthranilic acid
Property Insights of 4-(Trifluoromethyl)anthranilic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethyl)anthranilic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Trifluoromethyl)anthranilic acid. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)anthranilic 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 4-(Trifluoromethyl)anthranilic acid?
The CAS number of 4-(Trifluoromethyl)anthranilic acid is 402-13-1.
What is the molecular formula of 4-(Trifluoromethyl)anthranilic acid?
The molecular formula of 4-(Trifluoromethyl)anthranilic acid is C8H6F3NO2.
What is the molecular weight of 4-(Trifluoromethyl)anthranilic acid?
The molecular weight of 4-(Trifluoromethyl)anthranilic acid is 205.04 g/mol.
Where can I buy 4-(Trifluoromethyl)anthranilic acid?
You can request a quote for 4-(Trifluoromethyl)anthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)anthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)anthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.