![1,3-Diazabicyclo[2.2.2]octane structure](/static/products/280/280-48-8.png)
1,3-Diazabicyclo[2.2.2]octane
TL;DR: 1,3-Diazabicyclo[2.2.2]octane (CAS 280-48-8) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diazabicyclo[2.2.2]octane
Also Known As: 1,3-diazabicyclo[2.2.2]octane, 1,5-diazabicyclo[2.2.2]octane, 1,5-Diazabicyclo[3.2.1]octane(7CI,8CI,9CI)
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.0115 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 61.509773 |
Chemical Identifiers
| CAS Number | 280-48-8 |
|---|---|
| SMILES | C1CN2CCC1NC2 |
Product Overview
1,3-Diazabicyclo[2.2.2]octane (CAS 280-48-8), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 1,3-diazabicyclo[2.2.2]octane.
Chemical Property Profile of 1,3-Diazabicyclo[2.2.2]octane
Property Insights of 1,3-Diazabicyclo[2.2.2]octane
The XLogP value of 0.0115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 15.27 Ų, 1,3-Diazabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-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 1,3-Diazabicyclo[2.2.2]octane?
The CAS number of 1,3-Diazabicyclo[2.2.2]octane is 280-48-8.
What is the molecular formula of 1,3-Diazabicyclo[2.2.2]octane?
The molecular formula of 1,3-Diazabicyclo[2.2.2]octane is C6H12N2.
What is the molecular weight of 1,3-Diazabicyclo[2.2.2]octane?
The molecular weight of 1,3-Diazabicyclo[2.2.2]octane is 112.10 g/mol.
Where can I buy 1,3-Diazabicyclo[2.2.2]octane?
You can request a quote for 1,3-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 1,3-Diazabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.