TL;DR: 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-tert-butyldiphenylmethoxy)-9-methyl- (CAS 6606-02-6) is a chemical compound with molecular formula C26H35NO and molecular weight 377.27185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-tert-butylphenyl)-phenylmethoxy]-9-methyl-9-azabicyclo[3.3.1]nonane
Also Known As: KSD 2482, N-Methyl-norgranatanol-3-alpha-(2-tert-butylbenzhydryl)aether [German], N-Methyl-norgranatanol-3-alpha-(2-tert-butylbenzhydryl)aether, 3-alpha-(o-tert-Butyldiphenylmethoxy)-9-methyl-9-azabicyclo(3.3.1)nonane, 9-AZABICYCLO(3.3.1)NONANE, 3-alpha-(o-tert-BUTYLDIPHENYLMETHOXY)-9-METHYL-
| Molecular Formula | C26H35NO |
| Molecular Weight | 377.27185 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.27185 Da |
| Heavy Atoms | 28 |
| Complexity | 477.0 |
| SMILES | CC(C)(C)C1=CC=CC=C1C(C2=CC=CC=C2)OC3CC4CCCC(C3)N4C |
| InChIKey | DUVDQSSIRKKZKZ-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-tert-butyldiphenylmethoxy)-9-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-tert-butyldiphenylmethoxy)-9-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-tert-butyldiphenylmethoxy)-9-methyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-tert-butyldiphenylmethoxy)-9-methyl- is 6606-02-6.
The molecular formula of 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-tert-butyldiphenylmethoxy)-9-methyl- is C26H35NO.
The molecular weight of 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-tert-butyldiphenylmethoxy)-9-methyl- is 377.27185 g/mol.
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