TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 2-[(4-fluorophenyl)amino]-4-oxo-4-phenylbutanoate (CAS 1093814-18-6) is a chemical compound with molecular formula C24H19BrFNO4 and molecular weight 483.04816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-bromophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 2-[(4-fluorophenyl)amino]-4-oxo-4-phenylbutanoate, 2-(4-bromophenyl)-2-oxoethyl 2-((4-fluorophenyl)amino)-4-oxo-4-phenylbutanoate, [2-(4-bromophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
| Molecular Formula | C24H19BrFNO4 |
| Molecular Weight | 483.04816 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 483.04816 Da |
| Heavy Atoms | 31 |
| Complexity | 609.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CC(C(=O)OCC(=O)C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)F |
| InChIKey | MHCQJZFPDYMVLP-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2-(4-Bromophenyl)-2-oxoethyl 2-[(4-fluorophenyl)amino]-4-oxo-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 2-[(4-fluorophenyl)amino]-4-oxo-4-phenylbutanoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 2-[(4-fluorophenyl)amino]-4-oxo-4-phenylbutanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 2-[(4-fluorophenyl)amino]-4-oxo-4-phenylbutanoate is 1093814-18-6.
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-[(4-fluorophenyl)amino]-4-oxo-4-phenylbutanoate is C24H19BrFNO4.
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-[(4-fluorophenyl)amino]-4-oxo-4-phenylbutanoate is 483.04816 g/mol.
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