![2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate structure](/static/products/3514/351497-51-3.webp)
2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate (CAS 351497-51-3) is a chemical compound with molecular formula C19H15BrF3NO4 and molecular weight 457.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate
Also Known As: [2-(4-bromophenyl)-2-oxoethyl] 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate, 2-(4-bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate, 2-(4-BROMOPHENYL)-2-OXOETHYL 3-{[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}PROPANOATE, 2-(4-bromophenyl)-2-oxoethyl 3-{N-[3-(trifluoromethyl)phenyl]carbamoyl}propano ate, 2-(4-bromophenyl)-2-oxoethyl 4-oxo-4-((3-(trifluoromethyl)phenyl)amino)butanoate
| Molecular Formula | C19H15BrF3NO4 |
|---|---|
| Molecular Weight | 457.01 g/mol |
| LogP | 4.6127 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.01367 |
| Heavy Atoms | 28 |
| Complexity | 866.2276 |
Chemical Identifiers
| CAS Number | 351497-51-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br)C(F)(F)F |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate (CAS 351497-51-3), with molecular formula C19H15BrF3NO4 and molecular weight 457.01 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate
The XLogP value of 4.6127 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate has 1 hydrogen bond donor(s) and 4 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 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate is 351497-51-3.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate is C19H15BrF3NO4.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate is 457.01 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.