TL;DR: methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate (CAS 1213656-82-6) is a chemical compound with molecular formula C10H11F2NO2 and molecular weight 215.07579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate
Also Known As: methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate, Methyl (r)-3-amino-3-(2,6-difluorophenyl)propanoate, methyl(3R)-3-amino-3-(2,6-difluorophenyl)propanoate, Methyl (3S)-3-amino-3-(2,6-difluorophenyl)propanoate
| Molecular Formula | C10H11F2NO2 |
| Molecular Weight | 215.07579 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.07579 Da |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
| SMILES | COC(=O)C[C@H](C1=C(C=CC=C1F)F)N |
| InChIKey | HWOGPYPRYHCSRK-MRVPVSSYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate 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 methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate is 1213656-82-6.
The molecular formula of methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate is C10H11F2NO2.
The molecular weight of methyl (3R)-3-amino-3-(2,6-difluorophenyl)propanoate is 215.07579 g/mol.
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