TL;DR: 2-Amino-3-(4-bromo-2-fluorophenyl)propanoic acid (CAS 1213148-15-2) is a chemical compound with molecular formula C9H9BrFNO2 and molecular weight 260.98007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(4-bromo-2-fluorophenyl)propanoic acid
Also Known As: 4-Bromo-2-fluoro-DL-phenylalanine, DL-4-Bromo-2-fluoropenylalanine, 2-amino-3-(4-bromo-2-fluorophenyl)propanoic acid, 4-Bromo-2-fluorophenylalanine, 4-Bromo-2-fluorophenyl-DL-alanine
| Molecular Formula | C9H9BrFNO2 |
| Molecular Weight | 260.98007 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.98007 Da |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
| SMILES | C1=CC(=C(C=C1Br)F)CC(C(=O)O)N |
| InChIKey | MQJFVIRBPSXVRP-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 2-Amino-3-(4-bromo-2-fluorophenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(4-bromo-2-fluorophenyl)propanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-(4-bromo-2-fluorophenyl)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-bromo-2-fluorophenyl)propanoic acid is 1213148-15-2.
The molecular formula of 2-Amino-3-(4-bromo-2-fluorophenyl)propanoic acid is C9H9BrFNO2.
The molecular weight of 2-Amino-3-(4-bromo-2-fluorophenyl)propanoic acid is 260.98007 g/mol.
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