TL;DR: Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester (CAS 102951-07-5) is a chemical compound with molecular formula C24H23NO3 and molecular weight 373.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(3-oxo-1,3-diphenylpropyl)amino]benzoate
Also Known As: ethyl 4-[(3-oxo-1,3-diphenylpropyl)amino]benzoate, Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester, J1.789.995C, 4-(alpha-Phenacylbenzylamino)benzoic acid ethyl ester, Benzoic acid,4-[(3-oxo-1,3-diphenylpropyl)amino]-,ethyl ester
| Molecular Formula | C24H23NO3 |
| Molecular Weight | 373.1678 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.1678 Da |
| Heavy Atoms | 28 |
| Complexity | 486.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | CKTMMZPVWAILRL-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester is 102951-07-5.
The molecular formula of Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester is C24H23NO3.
The molecular weight of Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester is 373.1678 g/mol.
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