TL;DR: BAS 05228980 (CAS 1214626-95-5) is a chemical compound with molecular formula C16H26N2O2 and molecular weight 278.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
Also Known As: BAS 05228980, F0848-0067, AF-399/40862628, (1S,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one, (1S,4R)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
| Molecular Formula | C16H26N2O2 |
| Molecular Weight | 278.19943 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.19943 Da |
| Heavy Atoms | 20 |
| Complexity | 465.0 |
| SMILES | CC1(C2(CCC1(CC2=O)C(=O)N3CCN(CC3)C)C)C |
| InChIKey | ZMBSZRAWHINMPB-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05228980. With a topological polar surface area (TPSA) of 40.6 Ų, BAS 05228980 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05228980 has 0 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 BAS 05228980 is 1214626-95-5.
The molecular formula of BAS 05228980 is C16H26N2O2.
The molecular weight of BAS 05228980 is 278.19943 g/mol.
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