2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid
TL;DR: 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid (CAS 1566-81-0) is a chemical compound with molecular formula C15H11F3N2O3 and molecular weight 324.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
Also Known As: 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid, NS 1652, EX-A14744, (2-(N'-trifluoromethylphenyl)ureido)benzoic acid, Anthranilic acid, N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-
Technical Specifications
| Molecular Formula | C15H11F3N2O3 |
| Molecular Weight | 324.07217 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.07217 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | CTNQAPPDQTYTHM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid
Property Insights of 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid
The XLogP value of 4.2 indicates that 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid. Following Lipinski's Rule of Five, 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid?
The CAS number of 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid is 1566-81-0.
What is the molecular formula of 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid?
The molecular formula of 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid is C15H11F3N2O3.
What is the molecular weight of 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid?
The molecular weight of 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid is 324.07217 g/mol.
Where can I buy 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid?
You can request a quote for 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-(3-(Trifluoromethyl)phenyl)ureido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.