2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide
TL;DR: 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide (CAS 37436-17-2) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxido-3-aza-2-azoniabicyclo[2.2.2]octa-2,5-diene
Also Known As: 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide, J1.451.689A, 2,3-Diazabicyclo[2.2.2]octa-2,5-diene N-oxide, 3-oxido-2-aza-3-azoniabicyclo[2.2.2]octa-2,5-diene, 2,3-diaza-bicyclo[2.2.2]octa-2,5-diene 2-oxide
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 37436-17-2 |
|---|---|
| SMILES | C1CC2C=CC1N=[N+]2[O-] |
| InChIKey | REZPTDSIISBQTI-UHFFFAOYSA-N |
Product Overview
2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide (CAS 37436-17-2), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 2-oxido-3-aza-2-azoniabicyclo[2.2.2]octa-2,5-diene.
Chemical Property Profile of 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide
Property Insights of 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide. With a topological polar surface area (TPSA) of 41.1 Ų, 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide has 0 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 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide?
The CAS number of 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide is 37436-17-2.
What is the molecular formula of 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide?
The molecular formula of 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide is C6H8N2O.
What is the molecular weight of 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide?
The molecular weight of 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide is 124.06 g/mol.
Where can I buy 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide?
You can request a quote for 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.