Quinine (Hydrobromide)
TL;DR: Quinine (Hydrobromide) (CAS 549-49-5) is a chemical compound with molecular formula C20H25BrN2O2 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrobromide
Also Known As: Bromoquinine, Quinine, hydrate, Quinine hydriodide, QUININE HYDROBROMIDE, Quinine (Hydrobromide)
| Molecular Formula | C20H25BrN2O2 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 3.75 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.10995 |
| Heavy Atoms | 25 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 549-49-5 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Br |
| InChIKey | HDZGBIRSORQVNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinine (Hydrobromide) (CAS 549-49-5), with molecular formula C20H25BrN2O2 and molecular weight 404.11 g/mol. IUPAC: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrobromide.
Chemical Property Profile of Quinine (Hydrobromide)
Property Insights of Quinine (Hydrobromide)
The XLogP value of 3.75 indicates that Quinine (Hydrobromide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Quinine (Hydrobromide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinine (Hydrobromide) 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 Quinine (Hydrobromide)?
The CAS number of Quinine (Hydrobromide) is 549-49-5.
What is the molecular formula of Quinine (Hydrobromide)?
The molecular formula of Quinine (Hydrobromide) is C20H25BrN2O2.
What is the molecular weight of Quinine (Hydrobromide)?
The molecular weight of Quinine (Hydrobromide) is 404.11 g/mol.
Where can I buy Quinine (Hydrobromide)?
You can request a quote for Quinine (Hydrobromide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinine (Hydrobromide)?
Yes, KEHONG BIO provides custom synthesis services for Quinine (Hydrobromide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.