2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one
TL;DR: 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one (CAS 111896-93-6) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: 2-(4-Benzyloxyphenylmethylene)-3-oxoquinuclidine, 2-((4-(Phenylmethoxy)phenyl)methylene)-1-azabicyclo(2.2.2)octan-3-one, 1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2-((4-(PHENYLMETHOXY)PHENYL)METHYLENE)-, 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one, 2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Technical Specifications
| Molecular Formula | C21H21NO2 |
| Molecular Weight | 319.15723 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.15723 Da |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
| SMILES | C1CN2CCC1C(=O)C2=CC3=CC=C(C=C3)OCC4=CC=CC=C4 |
| InChIKey | ZYJQSYJBKVJHJK-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one
Property Insights of 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one
The XLogP value of 4.2 indicates that 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one 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 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
The CAS number of 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one is 111896-93-6.
What is the molecular formula of 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
The molecular formula of 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one is C21H21NO2.
What is the molecular weight of 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
The molecular weight of 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one is 319.15723 g/mol.
Where can I buy 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
You can request a quote for 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
Yes, CoreyChem provides custom synthesis services for 2-((4-(Benzyloxy)phenyl)methylidene)-1-azabicyclo(2.2.2)octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.