quinine ethylcarbonate
TL;DR: quinine ethylcarbonate (CAS 83-75-0) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.20 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)methyl] ethyl carbonate
Also Known As: quinine ethylcarbonate, ethylquinincarbonat-, EUQUININE, QUININE ETHYL CARBONATE, Ethyl quinine carbonate
| Molecular Formula | C23H28N2O4 |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.2049 |
| Heavy Atoms | 29 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 83-75-0 |
|---|---|
| SMILES | CCOC(=O)OC(C1CC2CCN1CC2C=C)C3=C4C=C(C=CC4=NC=C3)OC |
| InChIKey | NSBRKSWSLRQPJW-UHFFFAOYSA-N |
Product Overview
quinine ethylcarbonate (CAS 83-75-0), with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol. IUPAC: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] ethyl carbonate.
Chemical Property Profile of quinine ethylcarbonate
Property Insights of quinine ethylcarbonate
The XLogP value of 4.2 indicates that quinine ethylcarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for quinine ethylcarbonate. Following Lipinski's Rule of Five, quinine ethylcarbonate has 0 hydrogen bond donor(s) and 6 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 ethylcarbonate?
The CAS number of quinine ethylcarbonate is 83-75-0.
What is the molecular formula of quinine ethylcarbonate?
The molecular formula of quinine ethylcarbonate is C23H28N2O4.
What is the molecular weight of quinine ethylcarbonate?
The molecular weight of quinine ethylcarbonate is 396.20 g/mol.
Where can I buy quinine ethylcarbonate?
You can request a quote for quinine ethylcarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for quinine ethylcarbonate?
Yes, KEHONG BIO provides custom synthesis services for quinine ethylcarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.