Diazabicyclo(2.2.2)octane
TL;DR: Diazabicyclo(2.2.2)octane (CAS 33893-37-7) is a chemical compound with molecular formula C1CN2CCC1CN2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diazabicyclo[2.2.2]octane
Also Known As: 1,2-Diazabicyclo[2.2.2]octane, Dabco, Diazabicyclo[2.2.2]octane, 1,7-diazabicyclo[2.2.2]octane, diazabicyclo(2.2.2)octane
| Molecular Formula | C1CN2CCC1CN2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 33893-37-7 |
|---|---|
| SMILES | C1CN2CCC1CN2 |
| InChIKey | QVCUKHQDEZNNOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diazabicyclo(2.2.2)octane (CAS 33893-37-7), with molecular formula C1CN2CCC1CN2 and molecular weight 112.10 g/mol. IUPAC: 1,2-diazabicyclo[2.2.2]octane.
Chemical Property Profile of Diazabicyclo(2.2.2)octane
Property Insights of Diazabicyclo(2.2.2)octane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diazabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 15.3 Ų, Diazabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diazabicyclo(2.2.2)octane has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diazabicyclo(2.2.2)octane?
The CAS number of Diazabicyclo(2.2.2)octane is 33893-37-7.
What is the molecular formula of Diazabicyclo(2.2.2)octane?
The molecular formula of Diazabicyclo(2.2.2)octane is C1CN2CCC1CN2.
What is the molecular weight of Diazabicyclo(2.2.2)octane?
The molecular weight of Diazabicyclo(2.2.2)octane is 112.10 g/mol.
Where can I buy Diazabicyclo(2.2.2)octane?
You can request a quote for Diazabicyclo(2.2.2)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diazabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for Diazabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.