Quinine Di-N-oxide
TL;DR: Quinine Di-N-oxide (CAS 101655-92-9) is a chemical compound with molecular formula C20H24N2O4 and molecular weight 356.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethenyl-1-oxido-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxy-1-oxidoquinolin-1-ium-4-yl)methanol
Also Known As: Quinine Di-N-oxide, Quinine 1,1'-dioxide, (6-Methoxy-1-oxido-4-quinolinyl)(1-oxido-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanol, (5-ethenyl-1-oxido-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxy-1-oxidoquinolin-1-ium-4-yl)methanol
| Molecular Formula | C20H24N2O4 |
|---|---|
| Molecular Weight | 356.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1736 |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 101655-92-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C[N+](=C2C=C1)[O-])C(C3CC4CC[N+]3(CC4C=C)[O-])O |
| InChIKey | BTIIQUQYRAFYJP-UHFFFAOYSA-N |
Product Overview
Quinine Di-N-oxide (CAS 101655-92-9), with molecular formula C20H24N2O4 and molecular weight 356.17 g/mol. IUPAC: (5-ethenyl-1-oxido-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxy-1-oxidoquinolin-1-ium-4-yl)methanol.
Chemical Property Profile of Quinine Di-N-oxide
Property Insights of Quinine Di-N-oxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinine Di-N-oxide. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinine Di-N-oxide. Following Lipinski's Rule of Five, Quinine Di-N-oxide has 1 hydrogen bond donor(s) and 4 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 Quinine Di-N-oxide?
The CAS number of Quinine Di-N-oxide is 101655-92-9.
What is the molecular formula of Quinine Di-N-oxide?
The molecular formula of Quinine Di-N-oxide is C20H24N2O4.
What is the molecular weight of Quinine Di-N-oxide?
The molecular weight of Quinine Di-N-oxide is 356.17 g/mol.
Where can I buy Quinine Di-N-oxide?
You can request a quote for Quinine Di-N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinine Di-N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Quinine Di-N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.