TL;DR: (1S,1'S,5R,5'R)-3,3'-(ethane-1,2-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione) (CAS 1212485-10-3) is a chemical compound with molecular formula C22H32N2O4 and molecular weight 388.2362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,8,8-trimethyl-3-[2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-azabicyclo[3.2.1]octane-2,4-dione
Also Known As: (1S,1'S,5R,5'R)-3,3'-(ethane-1,2-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione), 1,8,8-TRIMETHYL-3-[2-(1,8,8-TRIMETHYL-2,4-DIOXO-3-AZABICYCLO[3.2.1]OCT-3-YL)ETHYL]-3-AZABICYCLO[3.2.1]OCTANE-2,4-DIONE, 5,8,8-trimethyl-3-[2-(5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-azabicyclo[3.2.1]octane-2,4-dione
| Molecular Formula | C22H32N2O4 |
| Molecular Weight | 388.2362 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.2362 Da |
| Heavy Atoms | 28 |
| Complexity | 734.0 |
| SMILES | CC1(C2CCC1(C(=O)N(C2=O)CCN3C(=O)C4CCC(C3=O)(C4(C)C)C)C)C |
| InChIKey | BQQVNSIEULXIPZ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,1'S,5R,5'R)-3,3'-(ethane-1,2-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione). The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,1'S,5R,5'R)-3,3'-(ethane-1,2-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione). Following Lipinski's Rule of Five, (1S,1'S,5R,5'R)-3,3'-(ethane-1,2-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione) 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 (1S,1'S,5R,5'R)-3,3'-(ethane-1,2-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione) is 1212485-10-3.
The molecular formula of (1S,1'S,5R,5'R)-3,3'-(ethane-1,2-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione) is C22H32N2O4.
The molecular weight of (1S,1'S,5R,5'R)-3,3'-(ethane-1,2-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione) is 388.2362 g/mol.
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