TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 2-[(2-methoxyphenyl)amino]-4-oxo-4-phenylbutanoate (CAS 1025759-47-0) is a chemical compound with molecular formula C25H22BrNO5 and molecular weight 495.06815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-bromophenyl)-2-oxoethyl] 2-(2-methoxyanilino)-4-oxo-4-phenylbutanoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 2-[(2-methoxyphenyl)amino]-4-oxo-4-phenylbutanoate, AB00567744-07, [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methoxyanilino)-4-oxo-4-phenylbutanoate, 2-(2-methoxyanilino)-4-oxo-4-phenylbutanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester, 2-(4-bromophenyl)-2-oxoethyl 2-((2-methoxyphenyl)amino)-4-oxo-4-phenylbutanoate
| Molecular Formula | C25H22BrNO5 |
| Molecular Weight | 495.06815 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 495.06815 Da |
| Heavy Atoms | 32 |
| Complexity | 628.0 |
| SMILES | COC1=CC=CC=C1NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br |
| InChIKey | PJDZTGNRJOUUCF-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 2-(4-Bromophenyl)-2-oxoethyl 2-[(2-methoxyphenyl)amino]-4-oxo-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 2-[(2-methoxyphenyl)amino]-4-oxo-4-phenylbutanoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 2-[(2-methoxyphenyl)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-[(2-methoxyphenyl)amino]-4-oxo-4-phenylbutanoate is 1025759-47-0.
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-[(2-methoxyphenyl)amino]-4-oxo-4-phenylbutanoate is C25H22BrNO5.
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-[(2-methoxyphenyl)amino]-4-oxo-4-phenylbutanoate is 495.06815 g/mol.
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