TL;DR: 3-Ethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane (CAS 63977-72-0) is a chemical compound with molecular formula C11H20N2O and molecular weight 196.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
Also Known As: KST-1B6987, 3-Ethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane, 3-Ethyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane, 3,8-Diazabicyclo(3.2.1)octane, 3-ethyl-8-propionyl-, 5-23-03-00465 (Beilstein Handbook Reference)
| Molecular Formula | C11H20N2O |
| Molecular Weight | 196.15756 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.15756 Da |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
| SMILES | CCC(=O)N1C2CCC1CN(C2)CC |
| InChIKey | FNZNYVDWBOFGOR-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane. With a topological polar surface area (TPSA) of 23.6 Ų, 3-Ethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane has 0 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 3-Ethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane is 63977-72-0.
The molecular formula of 3-Ethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane is C11H20N2O.
The molecular weight of 3-Ethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane is 196.15756 g/mol.
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