TL;DR: 6-Azabicyclo[3.2.1]octane, 6-(4-methoxybenzoyl)-1,3,3-trimethyl- (CAS 101132-69-8) is a chemical compound with molecular formula C18H25NO2 and molecular weight 287.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
Also Known As: 6-Azabicyclo[3.2.1]octane, 6-(4-methoxybenzoyl)-1,3,3-trimethyl-, 6-(4-methoxybenzoyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane, (4-methoxyphenyl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone, (4-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone, (4-methoxyphenyl)-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone
| Molecular Formula | C18H25NO2 |
| Molecular Weight | 287.18854 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.18854 Da |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
| SMILES | CC1(CC2CC(C1)(CN2C(=O)C3=CC=C(C=C3)OC)C)C |
| InChIKey | VALUCCBPSGDYQC-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 6-Azabicyclo[3.2.1]octane, 6-(4-methoxybenzoyl)-1,3,3-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 6-Azabicyclo[3.2.1]octane, 6-(4-methoxybenzoyl)-1,3,3-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Azabicyclo[3.2.1]octane, 6-(4-methoxybenzoyl)-1,3,3-trimethyl- 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 6-Azabicyclo[3.2.1]octane, 6-(4-methoxybenzoyl)-1,3,3-trimethyl- is 101132-69-8.
The molecular formula of 6-Azabicyclo[3.2.1]octane, 6-(4-methoxybenzoyl)-1,3,3-trimethyl- is C18H25NO2.
The molecular weight of 6-Azabicyclo[3.2.1]octane, 6-(4-methoxybenzoyl)-1,3,3-trimethyl- is 287.18854 g/mol.
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