Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester
TL;DR: Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester (CAS 29261-37-8) is a chemical compound with molecular formula C22H16F3NO4 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate
Also Known As: (Benzoyloxy)methyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester, benzoyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate, (Benzoyloxy)methyl 2-[3-(trifluoromethyl)anilino]benzoate, BRN 2916686
| Molecular Formula | C22H16F3NO4 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.10315 |
| Heavy Atoms | 30 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 29261-37-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCOC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F |
| InChIKey | NBJJPWWKHAEOMF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester (CAS 29261-37-8), with molecular formula C22H16F3NO4 and molecular weight 415.10 g/mol. IUPAC: benzoyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate.
Chemical Property Profile of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester
Property Insights of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester
The XLogP value of 7.2 indicates that Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester?
The CAS number of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester is 29261-37-8.
What is the molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester?
The molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester is C22H16F3NO4.
What is the molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester?
The molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester is 415.10 g/mol.
Where can I buy Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester?
You can request a quote for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)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-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino-, (benzoyloxy)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.