TL;DR: 2-(4-chlorophenyl)-2-oxoethyl N-[(4-methoxyphenyl)carbonyl]phenylalaninate (CAS 1396962-85-8) is a chemical compound with molecular formula C25H22ClNO5 and molecular weight 451.11865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
Also Known As: 2-(4-chlorophenyl)-2-oxoethyl 2-(4-methoxybenzamido)-3-phenylpropanoate, 2-(4-chlorophenyl)-2-oxoethyl N-[(4-methoxyphenyl)carbonyl]phenylalaninate, [2-(4-chlorophenyl)-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]-3-phenyl-propanoate, [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate, 2-(4-chlorophenyl)-2-oxoethyl 2-[(4-methoxyphenyl)formamido]-3-phenylpropanoate
| Molecular Formula | C25H22ClNO5 |
| Molecular Weight | 451.11865 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 451.11865 Da |
| Heavy Atoms | 32 |
| Complexity | 620.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | VENPWJNUHWHMSM-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 2-(4-chlorophenyl)-2-oxoethyl N-[(4-methoxyphenyl)carbonyl]phenylalaninate 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-chlorophenyl)-2-oxoethyl N-[(4-methoxyphenyl)carbonyl]phenylalaninate. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-2-oxoethyl N-[(4-methoxyphenyl)carbonyl]phenylalaninate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-chlorophenyl)-2-oxoethyl N-[(4-methoxyphenyl)carbonyl]phenylalaninate is 1396962-85-8.
The molecular formula of 2-(4-chlorophenyl)-2-oxoethyl N-[(4-methoxyphenyl)carbonyl]phenylalaninate is C25H22ClNO5.
The molecular weight of 2-(4-chlorophenyl)-2-oxoethyl N-[(4-methoxyphenyl)carbonyl]phenylalaninate is 451.11865 g/mol.
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