TL;DR: (R)-3-Amino-3-(2-bromophenyl)propanoic acid (CAS 117391-48-7) 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.
(3R)-3-amino-3-(2-bromophenyl)propanoic acid
Also Known As: (R)-3-Amino-3-(2-bromophenyl)propanoic acid, (R)-3-Amino-3-(2-bromo-phenyl)-propionic acid, (3R)-3-amino-3-(2-bromophenyl)propanoic acid, (R)-3-Amino-3-(2-bromophenyl)propionic acid, H-D-b-Phe(2-Br)-OH
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 242.98949 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.98949 Da |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
| SMILES | C1=CC=C(C(=C1)[C@@H](CC(=O)O)N)Br |
| InChIKey | OETRFEPZCAGEMK-MRVPVSSYSA-N |
The XLogP value of -0.6 indicates that (R)-3-Amino-3-(2-bromophenyl)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 (R)-3-Amino-3-(2-bromophenyl)propanoic acid. Following Lipinski's Rule of Five, (R)-3-Amino-3-(2-bromophenyl)propanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (R)-3-Amino-3-(2-bromophenyl)propanoic acid is 117391-48-7.
The molecular formula of (R)-3-Amino-3-(2-bromophenyl)propanoic acid is C9H10BrNO2.
The molecular weight of (R)-3-Amino-3-(2-bromophenyl)propanoic acid is 242.98949 g/mol.
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