TL;DR: Phenylalanine, N-benzoyl-3-fluoro- (CAS 143051-57-4) is a chemical compound with molecular formula C16H14FNO3 and molecular weight 287.09576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzamido-3-(3-fluorophenyl)propanoic acid
Also Known As: Phenylalanine, N-benzoyl-3-fluoro-, 2-benzamido-3-(3-fluorophenyl)propanoic acid, (S)-2-Benzamido-3-(3-fluorophenyl)propanoic acid
| Molecular Formula | C16H14FNO3 |
| Molecular Weight | 287.09576 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.09576 Da |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(CC2=CC(=CC=C2)F)C(=O)O |
| InChIKey | PBKKFAXUWHUKAJ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanine, N-benzoyl-3-fluoro-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylalanine, N-benzoyl-3-fluoro-. Following Lipinski's Rule of Five, Phenylalanine, N-benzoyl-3-fluoro- 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 Phenylalanine, N-benzoyl-3-fluoro- is 143051-57-4.
The molecular formula of Phenylalanine, N-benzoyl-3-fluoro- is C16H14FNO3.
The molecular weight of Phenylalanine, N-benzoyl-3-fluoro- is 287.09576 g/mol.
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