1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2)
TL;DR: 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) (CAS 49623-77-0) is a chemical compound with molecular formula C6H13N2+ and molecular weight 113.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aza-1-azoniabicyclo[2.2.2]octane
Also Known As: 1,4-Diazabicyclo[2.2.2]octan-1-ium, 4-aza-1-azoniabicyclo[2.2.2]octane, 1-azonia-4-azabicyclo[2.2.2]octane, 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2), RefChem:1053246
| Molecular Formula | C6H13N2+ |
|---|---|
| Molecular Weight | 113.11 g/mol |
| LogP | -1.7995 |
| Topological Polar Surface Area | 7.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.10787 |
| Heavy Atoms | 8 |
| Complexity | 61.509773 |
Chemical Identifiers
| CAS Number | 49623-77-0 |
|---|---|
| SMILES | C1CN2CC[NH+]1CC2 |
Product Overview
1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) (CAS 49623-77-0), with molecular formula C6H13N2+ and molecular weight 113.11 g/mol. IUPAC: 4-aza-1-azoniabicyclo[2.2.2]octane.
Chemical Property Profile of 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2)
Property Insights of 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2)
The XLogP value of -1.7995 indicates that 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 7.68 Ų, 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) 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
Frequently Asked Questions
What is the CAS number of 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2)?
The CAS number of 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) is 49623-77-0.
What is the molecular formula of 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2)?
The molecular formula of 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) is C6H13N2+.
What is the molecular weight of 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2)?
The molecular weight of 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) is 113.11 g/mol.
Where can I buy 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2)?
You can request a quote for 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diazabicyclo(2.2.2)octane, conjugate acid (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.