TL;DR: (3R)-3-amino-3-(2,5-difluorophenyl)propanoic acid (CAS 1228561-26-9) is a chemical compound with molecular formula C9H9F2NO2 and molecular weight 201.06013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-amino-3-(2,5-difluorophenyl)propanoic acid
Also Known As: (3R)-3-amino-3-(2,5-difluorophenyl)propanoic acid, (R)-3-AMINO-3-(2,5-DIFLUOROPHENYL)PROPANOIC ACID, (3S)-3-amino-3-(2,5-difluorophenyl)propanoic Acid, (I(2)R)-I(2)-Amino-2,5-difluorobenzenepropanoic acid
| Molecular Formula | C9H9F2NO2 |
| Molecular Weight | 201.06013 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.06013 Da |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
| SMILES | C1=CC(=C(C=C1F)[C@@H](CC(=O)O)N)F |
| InChIKey | AXIFQWRTBOFNKU-MRVPVSSYSA-N |
The XLogP value of -1.1 indicates that (3R)-3-amino-3-(2,5-difluorophenyl)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 (3R)-3-amino-3-(2,5-difluorophenyl)propanoic acid. Following Lipinski's Rule of Five, (3R)-3-amino-3-(2,5-difluorophenyl)propanoic acid has 1 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 (3R)-3-amino-3-(2,5-difluorophenyl)propanoic acid is 1228561-26-9.
The molecular formula of (3R)-3-amino-3-(2,5-difluorophenyl)propanoic acid is C9H9F2NO2.
The molecular weight of (3R)-3-amino-3-(2,5-difluorophenyl)propanoic acid is 201.06013 g/mol.
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