TL;DR: 3-(4-Phenyl-3-butenyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane (CAS 63977-93-5) is a chemical compound with molecular formula C19H26N2O and molecular weight 298.2045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(4-phenylbut-3-enyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Also Known As: 3-(4-Phenyl-3-butenyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane
| Molecular Formula | C19H26N2O |
| Molecular Weight | 298.2045 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.2045 Da |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
| SMILES | CCC(=O)N1C2CCC1CN(C2)CCC=CC3=CC=CC=C3 |
| InChIKey | DJEUWFADFGMDAH-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-(4-Phenyl-3-butenyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 3-(4-Phenyl-3-butenyl)-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-(4-Phenyl-3-butenyl)-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-(4-Phenyl-3-butenyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane is 63977-93-5.
The molecular formula of 3-(4-Phenyl-3-butenyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane is C19H26N2O.
The molecular weight of 3-(4-Phenyl-3-butenyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane is 298.2045 g/mol.
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