TL;DR: 2-amino-3-(4-benzoylphenyl)propanoic Acid (CAS 104504-39-4) 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.
2-amino-3-(4-benzoylphenyl)propanoic acid
Also Known As: 4-benzoyl-l-phenylalanine, D-4-Benzoylphenylalanine, L-4-Benzoylphenylalanine, H-D-BPA-OH, H-Bpa-OH
| Molecular Formula | C16H15NO3 |
| Molecular Weight | 269.1052 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 Da |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC(C(=O)O)N |
| InChIKey | TVIDEEHSOPHZBR-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-3-(4-benzoylphenyl)propanoic Acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-3-(4-benzoylphenyl)propanoic Acid. Following Lipinski's Rule of Five, 2-amino-3-(4-benzoylphenyl)propanoic Acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-amino-3-(4-benzoylphenyl)propanoic Acid is 104504-39-4.
The molecular formula of 2-amino-3-(4-benzoylphenyl)propanoic Acid is C16H15NO3.
The molecular weight of 2-amino-3-(4-benzoylphenyl)propanoic Acid is 269.1052 g/mol.
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