![2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate structure](/static/products/3290/329049-11-8.webp)
2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate
TL;DR: 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate (CAS 329049-11-8) is a chemical compound with molecular formula C19H15F3N2O6 and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate
Also Known As: 2-{4-nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate, [2-(4-nitrophenyl)-2-oxoethyl] 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate, 2-(4-nitrophenyl)-2-oxoethyl 4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoate
| Molecular Formula | C19H15F3N2O6 |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 3.7584 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.08823 |
| Heavy Atoms | 30 |
| Complexity | 957.48724 |
Chemical Identifiers
| CAS Number | 329049-11-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F |
Product Overview
2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate (CAS 329049-11-8), with molecular formula C19H15F3N2O6 and molecular weight 424.09 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate.
Chemical Property Profile of 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate
Property Insights of 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate
The XLogP value of 3.7584 indicates that 2-{4-Nitrophenyl}-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 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate. Following Lipinski's Rule of Five, 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate 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 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
The CAS number of 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate is 329049-11-8.
What is the molecular formula of 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
The molecular formula of 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate is C19H15F3N2O6.
What is the molecular weight of 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
The molecular weight of 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate is 424.09 g/mol.
Where can I buy 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
You can request a quote for 2-{4-Nitrophenyl}-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-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-Nitrophenyl}-2-oxoethyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.