奎宁碳酸乙酯
TL;DR: 奎宁碳酸乙酯 (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.
奎宁碳酸乙酯
[(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
奎宁碳酸乙酯 (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 奎宁碳酸乙酯
Property Insights of 奎宁碳酸乙酯
The XLogP value of 4.2 indicates that 奎宁碳酸乙酯 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 奎宁碳酸乙酯. Following Lipinski's Rule of Five, 奎宁碳酸乙酯 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 奎宁碳酸乙酯?
The CAS number of 奎宁碳酸乙酯 is 83-75-0.
What is the molecular formula of 奎宁碳酸乙酯?
The molecular formula of 奎宁碳酸乙酯 is C23H28N2O4.
What is the molecular weight of 奎宁碳酸乙酯?
The molecular weight of 奎宁碳酸乙酯 is 396.20 g/mol.
Where can I buy 奎宁碳酸乙酯?
You can request a quote for 奎宁碳酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奎宁碳酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 奎宁碳酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.