2,5-Diazabicyclo(2.2.2)octane
TL;DR: 2,5-Diazabicyclo(2.2.2)octane (CAS 194600-16-3) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-diazabicyclo[2.2.2]octane
Also Known As: 2,5-diazabicyclo[2.2.2]octane, 2,5-DIAZA-BICYCLO[2.2.2]OCTANE, 2,5-Diazabicyclo(2.2.2)octane, 1393AJ, (1R,4R)-2,5-Diazabicyclo(2.2.2)octane
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12N2 |
| Molecular Weight | 112.10005 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.10005 Da |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
| SMILES | C1CC2CNC1CN2 |
| InChIKey | DJWDAKFSDBOQJK-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Diazabicyclo(2.2.2)octane
Property Insights of 2,5-Diazabicyclo(2.2.2)octane
The XLogP value of -0.2 indicates that 2,5-Diazabicyclo(2.2.2)octane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.1 Ų, 2,5-Diazabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diazabicyclo(2.2.2)octane has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-Diazabicyclo(2.2.2)octane?
The CAS number of 2,5-Diazabicyclo(2.2.2)octane is 194600-16-3.
What is the molecular formula of 2,5-Diazabicyclo(2.2.2)octane?
The molecular formula of 2,5-Diazabicyclo(2.2.2)octane is C6H12N2.
What is the molecular weight of 2,5-Diazabicyclo(2.2.2)octane?
The molecular weight of 2,5-Diazabicyclo(2.2.2)octane is 112.10005 g/mol.
Where can I buy 2,5-Diazabicyclo(2.2.2)octane?
You can request a quote for 2,5-Diazabicyclo(2.2.2)octane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Diazabicyclo(2.2.2)octane?
Yes, CoreyChem provides custom synthesis services for 2,5-Diazabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.