TL;DR: 4-Bromophenylalanine (CAS 14091-15-7) is a chemical compound with molecular formula C9H10BrNO2 and molecular weight 242.98949 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(4-bromophenyl)propanoic acid
Also Known As: 4-Bromo-dl-phenylalanine, p-Bromo-DL-phenylalanine, 2-amino-3-(4-bromophenyl)propanoic acid, 4-Bromophenylalanine, 4-Bromo-D-phenylalanine
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 242.98949 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.98949 Da |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
| SMILES | C1=CC(=CC=C1CC(C(=O)O)N)Br |
| InChIKey | PEMUHKUIQHFMTH-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 4-Bromophenylalanine 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 4-Bromophenylalanine. Following Lipinski's Rule of Five, 4-Bromophenylalanine has 2 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 4-Bromophenylalanine is 14091-15-7.
The molecular formula of 4-Bromophenylalanine is C9H10BrNO2.
The molecular weight of 4-Bromophenylalanine is 242.98949 g/mol.
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