![Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester structure](/static/products/2212/22121-45-5.webp)
Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester
TL;DR: Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester (CAS 22121-45-5) is a chemical compound with molecular formula C16H14F3NO2 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[N-methyl-3-(trifluoromethyl)anilino]benzoate
Also Known As: Flufenamic acid di-methyl derivative, methyl 2-[N-methyl-3-(trifluoromethyl)anilino]benzoate, Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester, Methyl 2-[methyl-3-(trifluoromethyl)anilino]benzoate #, METHYL 2-{METHYL[3-(TRIFLUOROMETHYL)PHENYL]AMINO}BENZOATE
| Molecular Formula | C16H14F3NO2 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.09766 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 22121-45-5 |
|---|---|
| SMILES | CN(C1=CC=CC(=C1)C(F)(F)F)C2=CC=CC=C2C(=O)OC |
| InChIKey | IUEFNNILZKSULD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester (CAS 22121-45-5), with molecular formula C16H14F3NO2 and molecular weight 309.10 g/mol. IUPAC: methyl 2-[N-methyl-3-(trifluoromethyl)anilino]benzoate.
Chemical Property Profile of Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester
Property Insights of Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester
The XLogP value of 4.3 indicates that Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester has 0 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 Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester?
The CAS number of Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester is 22121-45-5.
What is the molecular formula of Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester?
The molecular formula of Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester is C16H14F3NO2.
What is the molecular weight of Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester?
The molecular weight of Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester is 309.10 g/mol.
Where can I buy Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester?
You can request a quote for Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.