TL;DR: (S)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid (CAS 793663-51-1) is a chemical compound with molecular formula C10H10F3NO2 and molecular weight 233.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid
Also Known As: (S)-3-AMINO-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID, 3-Trifluoromethyl-L-b-phenylalanine, S-3-CF3-PHA, (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid, (S)-3-Amino-3-(3-trifluoromethylphenyl)propionic acid
| Molecular Formula | C10H10F3NO2 |
| Molecular Weight | 233.06636 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.06636 Da |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)[C@H](CC(=O)O)N |
| InChIKey | WZXBASRNQXYUIP-QMMMGPOBSA-N |
The XLogP value of -0.4 indicates that (S)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid. Following Lipinski's Rule of Five, (S)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid is 793663-51-1.
The molecular formula of (S)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid is C10H10F3NO2.
The molecular weight of (S)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid is 233.06636 g/mol.
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