1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)-
TL;DR: 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- (CAS 111896-95-8) is a chemical compound with molecular formula C21H23NO2 and molecular weight 321.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-phenylmethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: 2-(4-Benzyloxybenzyl)-3-oxoquinuclidine, 2-(4-benzyloxybenzyl)3-oxoquinuclidine, 2-((4-(Phenylmethoxy)phenyl)methyl)-1-azabicyclo(2.2.2)octan-3-one, 2-[4-(benzyloxy)benzyl]quinuclidin-3-one hydrochloride, 1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2-((4-(PHENYLMETHOXY)PHENYL)METHYL)-
Technical Specifications
| Molecular Formula | C21H23NO2 |
| Molecular Weight | 321.17288 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.17288 Da |
| Heavy Atoms | 24 |
| Complexity | 416.0 |
| SMILES | C1CN2CCC1C(=O)C2CC3=CC=C(C=C3)OCC4=CC=CC=C4 |
| InChIKey | SODNHZYMOYNEKW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)-
Property Insights of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)-
The XLogP value of 3.8 indicates that 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)-?
The CAS number of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- is 111896-95-8.
What is the molecular formula of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)-?
The molecular formula of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- is C21H23NO2.
What is the molecular weight of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)-?
The molecular weight of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- is 321.17288 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)-?
You can request a quote for 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)-?
Yes, CoreyChem provides custom synthesis services for 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-(phenylmethoxy)phenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.