Quinine salicylate
TL;DR: Quinine salicylate (CAS 750-90-3) is a chemical compound with molecular formula C27H30N2O5 and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-hydroxybenzoic acid
Also Known As: Quinine Salicylate, Chininsalicylat, Chininum salicylicum, Quinine, monosalicylate, quinine, salicylate
| Molecular Formula | C27H30N2O5 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 4.26 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.21548 |
| Heavy Atoms | 34 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 750-90-3 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.C1=CC=C(C(=C1)C(=O)O)O |
| InChIKey | MAYUSTFJKJSJNC-DSXUQNDKSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinine salicylate (CAS 750-90-3), with molecular formula C27H30N2O5 and molecular weight 462.22 g/mol. IUPAC: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-hydroxybenzoic acid.
Chemical Property Profile of Quinine salicylate
Property Insights of Quinine salicylate
The XLogP value of 4.26 indicates that Quinine salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinine salicylate. Following Lipinski's Rule of Five, Quinine salicylate has 3 hydrogen bond donor(s) and 7 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 salicylate?
The CAS number of Quinine salicylate is 750-90-3.
What is the molecular formula of Quinine salicylate?
The molecular formula of Quinine salicylate is C27H30N2O5.
What is the molecular weight of Quinine salicylate?
The molecular weight of Quinine salicylate is 462.22 g/mol.
Where can I buy Quinine salicylate?
You can request a quote for Quinine salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinine salicylate?
Yes, KEHONG BIO provides custom synthesis services for Quinine salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.