Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester
TL;DR: Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester (CAS 29098-19-9) is a chemical compound with molecular formula C17H14F3NO4 and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate
Also Known As: Acetyloxymethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester, acetyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate, (Acetyloxy)methyl 2-[3-(trifluoromethyl)anilino]benzoate, BRN 2907002
| Molecular Formula | C17H14F3NO4 |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.0875 |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 29098-19-9 |
|---|---|
| SMILES | CC(=O)OCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | SHQWQCXCWOQXDC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester (CAS 29098-19-9), with molecular formula C17H14F3NO4 and molecular weight 353.09 g/mol. IUPAC: acetyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate.
Chemical Property Profile of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester
Property Insights of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester
The XLogP value of 5.6 indicates that Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl 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)-, acetyloxymethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl 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)-, acetyloxymethyl ester?
The CAS number of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester is 29098-19-9.
What is the molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester?
The molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester is C17H14F3NO4.
What is the molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester?
The molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester is 353.09 g/mol.
Where can I buy Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester?
You can request a quote for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl 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)-, acetyloxymethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, acetyloxymethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.