Quinine
TL;DR: Quinine (CAS 7252-93-9) is a chemical compound with molecular formula C20H25ClN2O2 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrochloride
Also Known As: Quinine, KST-1A7866, (4-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxyquinolin-4-yl)methanol hydrochloride(1:1), (4-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol hydrochloride, (4-ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-(6-methoxyquinolin-4-yl)methanol hydrochloride
| Molecular Formula | C20H25ClN2O2 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 3.74 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.16046 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 7252-93-9 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4(CCN3CC4)C=C)O.Cl |
| InChIKey | PKLFKSABAIAQBR-UHFFFAOYSA-N |
Product Overview
Quinine (CAS 7252-93-9), with molecular formula C20H25ClN2O2 and molecular weight 360.16 g/mol. IUPAC: (4-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrochloride.
Chemical Property Profile of Quinine
Property Insights of Quinine
The XLogP value of 3.74 indicates that Quinine 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinine 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?
The CAS number of Quinine is 7252-93-9.
What is the molecular formula of Quinine?
The molecular formula of Quinine is C20H25ClN2O2.
What is the molecular weight of Quinine?
The molecular weight of Quinine is 360.16 g/mol.
Where can I buy Quinine?
You can request a quote for Quinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinine?
Yes, KEHONG BIO provides custom synthesis services for Quinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.