TL;DR: p-benzoyl-L-phenylalanine (CAS 104505-58-0) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid
Also Known As: 4-benzoyl-l-phenylalanine, L-4-Benzoylphenylalanine, p-benzoyl-l-phenylalanine, Para-(Benzoyl)-Phenylalanine, (S)-2-Amino-3-(4-benzoylphenyl)propanoic acid
| Molecular Formula | C16H15NO3 |
| Molecular Weight | 269.1052 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 84.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1052 Da |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)N |
| InChIKey | TVIDEEHSOPHZBR-AWEZNQCLSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-benzoyl-L-phenylalanine. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for p-benzoyl-L-phenylalanine. Following Lipinski's Rule of Five, p-benzoyl-L-phenylalanine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of p-benzoyl-L-phenylalanine is 104505-58-0.
The molecular formula of p-benzoyl-L-phenylalanine is C16H15NO3.
The molecular weight of p-benzoyl-L-phenylalanine is 269.1052 g/mol.
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