2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one
TL;DR: 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one (CAS 111896-94-7) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Also Known As: Maybridge1_003469, 2-(3,4-Methylenedioxyphenylmethylene)-3-oxoquinuclidine, 2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one, 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone, 2-(1,3-benzodioxol-5-ylmethylene)quinuclidin-3-one
Technical Specifications
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.1052 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.1052 Da |
| Heavy Atoms | 19 |
| Complexity | 412.0 |
| SMILES | C1CN2CCC1C(=O)C2=CC3=CC4=C(C=C3)OCO4 |
| InChIKey | NGNUATHUAAONSD-UHFFFAOYSA-N |
Chemical Property Profile of 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one
Property Insights of 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one. With a topological polar surface area (TPSA) of 38.8 Ų, 2-((2H-1,3-Benzodioxol-5-yl)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-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one has 0 hydrogen bond donor(s) and 4 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-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
The CAS number of 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one is 111896-94-7.
What is the molecular formula of 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
The molecular formula of 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one is C15H15NO3.
What is the molecular weight of 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
The molecular weight of 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one is 257.1052 g/mol.
Where can I buy 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
You can request a quote for 2-((2H-1,3-Benzodioxol-5-yl)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-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one?
Yes, CoreyChem provides custom synthesis services for 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.