3-hydroxyquinine
TL;DR: 3-hydroxyquinine (CAS 53467-23-5) is a chemical compound with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R,6R)-3-ethenyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
Also Known As: 3-hydroxyquinine, (3S)-3-Hydroxy Quinidine, KST-1A5739, (4, A,9s)-6'-methoxycinchonan-3,9-diol
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 53467-23-5 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@H]4CCN3C[C@@]4(C=C)O)O |
| InChIKey | BSRUJCFCZKMFMB-NWTFUFRBSA-N |
Product Overview
3-hydroxyquinine (CAS 53467-23-5), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: (3S,4R,6R)-3-ethenyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol.
Chemical Property Profile of 3-hydroxyquinine
Property Insights of 3-hydroxyquinine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxyquinine. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxyquinine. Following Lipinski's Rule of Five, 3-hydroxyquinine has 2 hydrogen bond donor(s) and 5 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 3-hydroxyquinine?
The CAS number of 3-hydroxyquinine is 53467-23-5.
What is the molecular formula of 3-hydroxyquinine?
The molecular formula of 3-hydroxyquinine is C20H24N2O3.
What is the molecular weight of 3-hydroxyquinine?
The molecular weight of 3-hydroxyquinine is 340.18 g/mol.
Where can I buy 3-hydroxyquinine?
You can request a quote for 3-hydroxyquinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxyquinine?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxyquinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.