TL;DR: P9KP229Jru (CAS 146725-35-1) is a chemical compound with molecular formula C16H20FNO2 and molecular weight 276.15924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-(111C)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: (C11)beta-Cft, (11C)Cft, (N-Methyl-11C)beta-cft, (11C)Win-35428, (C11).BETA.-CFT
| Molecular Formula | C16H20FNO2 |
| Molecular Weight | 276.15924 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.15924 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | COC(=O)[C@@H]1[C@H]2CC[C@H](N2[11CH3])C[C@@H]1C3=CC=C(C=C3)F |
| InChIKey | QUSLQENMLDRCTO-DAVRTETJSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P9KP229Jru. With a topological polar surface area (TPSA) of 29.5 Ų, P9KP229Jru exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, P9KP229Jru has 0 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 P9KP229Jru is 146725-35-1.
The molecular formula of P9KP229Jru is C16H20FNO2.
The molecular weight of P9KP229Jru is 276.15924 g/mol.
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