![Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate structure](/static/products/1566/1566-98-9.webp)
Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate
TL;DR: Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate (CAS 1566-98-9) 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.
methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate
Also Known As: methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate, 2-{[(4-methoxyphenyl)carbamoyl]amino}benzoic acid, methyl 2-({[3-(trifluoromethyl)anilino]carbonyl}amino)benzoate, Benzoic acid, 2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, methyl ester, methyl 2-({[3-(trifluoromethyl)phenyl]amino}carbonylamino)benzoate
| Molecular Formula | C16H13F3N2O3 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.08783 |
| Heavy Atoms | 24 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 1566-98-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | GUDRLKWKZBPOOQ-UHFFFAOYSA-N |
Product Overview
Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate (CAS 1566-98-9), with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol. IUPAC: methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate.
Chemical Property Profile of Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate
Property Insights of Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate
The XLogP value of 3.9 indicates that Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate 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 Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate?
The CAS number of Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate is 1566-98-9.
What is the molecular formula of Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate?
The molecular formula of Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate is C16H13F3N2O3.
What is the molecular weight of Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate?
The molecular weight of Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate is 338.09 g/mol.
Where can I buy Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate?
You can request a quote for Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.