2-Azabicyclo(2.2.2)octane
TL;DR: 2-Azabicyclo(2.2.2)octane (CAS 280-38-6) is a chemical compound with molecular formula C7H13N and molecular weight 111.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-azabicyclo[2.2.2]octane
Also Known As: 2-Azabicyclo[2.2.2]octane, Isoquinuclidine, Isochinuclidin, 3-azabicyclo[2.2.2]octane, 2-AZABICYCLO(2.2.2)OCTANE
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1048 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.1048 Da |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
| SMILES | C1CC2CCC1CN2 |
| InChIKey | KPUSZZFAYGWAHZ-UHFFFAOYSA-N |
Product Description
Applications: 2-Azabicyclo(2.2.2)octane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Azabicyclo(2.2.2)octane (CAS 280-38-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2-Azabicyclo(2.2.2)octane (CAS 280-38-6) has the molecular formula C7H13N and a molecular weight of 111.1 g/mol. It is also known as 2-Azabicyclo[2.2.2]octane and Isoquinuclidine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Azabicyclo(2.2.2)octane
Property Insights of 2-Azabicyclo(2.2.2)octane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 12.0 Ų, 2-Azabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azabicyclo(2.2.2)octane has 1 hydrogen bond donor(s) and 1 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-Azabicyclo(2.2.2)octane?
The CAS number of 2-Azabicyclo(2.2.2)octane is 280-38-6.
What is the molecular formula of 2-Azabicyclo(2.2.2)octane?
The molecular formula of 2-Azabicyclo(2.2.2)octane is C7H13N.
What is the molecular weight of 2-Azabicyclo(2.2.2)octane?
The molecular weight of 2-Azabicyclo(2.2.2)octane is 111.1048 g/mol.
What are the applications of 2-Azabicyclo(2.2.2)octane?
2-Azabicyclo(2.2.2)octane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Azabicyclo(2.2.2)octane...
Where can I buy 2-Azabicyclo(2.2.2)octane?
You can request a quote for 2-Azabicyclo(2.2.2)octane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Azabicyclo(2.2.2)octane?
Yes, CoreyChem provides custom synthesis services for 2-Azabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.