![Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester structure](/static/products/2467/24676-69-5.webp)
Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester
TL;DR: Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester (CAS 24676-69-5) is a chemical compound with molecular formula C11H10F3NO3 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate
Also Known As: ethyl 4-[(trifluoroacetyl)amino]benzoate, starbld0016152, NCIOpen2_006481, ethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate, ETHYL 4-(2,2,2-TRIFLUOROACETAMIDO)BENZOATE
| Molecular Formula | C11H10F3NO3 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.06128 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 24676-69-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F |
| InChIKey | QHYQXLZAPVFNKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester (CAS 24676-69-5), with molecular formula C11H10F3NO3 and molecular weight 261.06 g/mol. IUPAC: ethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester
Property Insights of Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester has 1 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, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester?
The CAS number of Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester is 24676-69-5.
What is the molecular formula of Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester?
The molecular formula of Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester is C11H10F3NO3.
What is the molecular weight of Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester?
The molecular weight of Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester is 261.06 g/mol.
Where can I buy Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester?
You can request a quote for Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl 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, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.