![4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid structure](/static/products/7019/701945-79-1.webp)
4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid
TL;DR: 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid (CAS 701945-79-1) is a chemical compound with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoic acid
Also Known As: 4-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoic Acid, 4-((3-(2-(trifluoromethyl)phenyl)ureido)methyl)benzoic acid, 4-[({[2-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid, 4-[({[2-(trifluoromethyl)phenyl]amino}carbonylamino)methyl]benzoic acid
| Molecular Formula | C16H13F3N2O3 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 3.7253 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.08783 |
| Heavy Atoms | 24 |
| Complexity | 742.978 |
Chemical Identifiers
| CAS Number | 701945-79-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid (CAS 701945-79-1), with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol. IUPAC: 4-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoic acid.
Chemical Property Profile of 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid
Property Insights of 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid
The XLogP value of 3.7253 indicates that 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid has 3 hydrogen bond donor(s) and 2 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-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid?
The CAS number of 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid is 701945-79-1.
What is the molecular formula of 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid?
The molecular formula of 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid is C16H13F3N2O3.
What is the molecular weight of 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid?
The molecular weight of 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid is 338.09 g/mol.
Where can I buy 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid?
You can request a quote for 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.