Cupreine
TL;DR: Cupreine (CAS 524-63-0) is a chemical compound with molecular formula C19H22N2O2 and molecular weight 310.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
Also Known As: Cupreine, ultraquinine, O-Desmethyl Quinine, Cupreidine, Cuprein
| Molecular Formula | C19H22N2O2 |
|---|---|
| Molecular Weight | 310.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.16812 |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 524-63-0 |
|---|---|
| SMILES | C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)O)O |
| InChIKey | VJFMSYZSFUWQPZ-BIPCEHGGSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cupreine (CAS 524-63-0), with molecular formula C19H22N2O2 and molecular weight 310.17 g/mol. IUPAC: 4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol.
Chemical Property Profile of Cupreine
Property Insights of Cupreine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cupreine. With a topological polar surface area (TPSA) of 56.6 Ų, Cupreine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cupreine 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 Cupreine?
The CAS number of Cupreine is 524-63-0.
What is the molecular formula of Cupreine?
The molecular formula of Cupreine is C19H22N2O2.
What is the molecular weight of Cupreine?
The molecular weight of Cupreine is 310.17 g/mol.
Where can I buy Cupreine?
You can request a quote for Cupreine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cupreine?
Yes, KEHONG BIO provides custom synthesis services for Cupreine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.