Hydroquinine HBr
TL;DR: Hydroquinine HBr (CAS 85153-19-1) is a chemical compound with molecular formula C20H27BrN2O2 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrobromide
Also Known As: Hydroquinine HBr, Hydroquinine hydrobromide, Dihydroquinine hydrobromide, Hydroquinine hydrobromide hydrate, 6'-Methoxy-10,11-dihydrocinchonan-9-ol--hydrogen bromide (1/1)
| Molecular Formula | C20H27BrN2O2 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 3.9751 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.12558 |
| Heavy Atoms | 25 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 85153-19-1 |
|---|---|
| SMILES | CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O.Br |
| InChIKey | BKKQYYLUFOIOJF-UHFFFAOYSA-N |
Product Overview
Hydroquinine HBr (CAS 85153-19-1), with molecular formula C20H27BrN2O2 and molecular weight 406.13 g/mol. IUPAC: (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrobromide.
Chemical Property Profile of Hydroquinine HBr
Property Insights of Hydroquinine HBr
The XLogP value of 3.9751 indicates that Hydroquinine HBr is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Hydroquinine HBr exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroquinine HBr has 2 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 Hydroquinine HBr?
The CAS number of Hydroquinine HBr is 85153-19-1.
What is the molecular formula of Hydroquinine HBr?
The molecular formula of Hydroquinine HBr is C20H27BrN2O2.
What is the molecular weight of Hydroquinine HBr?
The molecular weight of Hydroquinine HBr is 406.13 g/mol.
Where can I buy Hydroquinine HBr?
You can request a quote for Hydroquinine HBr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroquinine HBr?
Yes, KEHONG BIO provides custom synthesis services for Hydroquinine HBr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.