奎宁硫酸盐
TL;DR: 奎宁硫酸盐 (CAS 804-63-7) is a chemical compound with molecular formula C40H50N4O8S and molecular weight 746.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奎宁硫酸盐
bis((R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid
Also Known As: quinine sulfate, Quinine sulphate, Coco-Quinine, Legatrin, Aflukin
| Molecular Formula | C40H50N4O8S |
|---|---|
| Molecular Weight | 746.33 g/mol |
| LogP | 5.69 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 746.33496 |
| Heavy Atoms | 53 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 804-63-7 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O |
| InChIKey | RONWGALEIBILOG-PLYVKUMQSA-N |
Product Overview
奎宁硫酸盐 (CAS 804-63-7), with molecular formula C40H50N4O8S and molecular weight 746.33 g/mol. IUPAC: bis((R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid.
Chemical Property Profile of 奎宁硫酸盐
Property Insights of 奎宁硫酸盐
The XLogP value of 5.69 indicates that 奎宁硫酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 奎宁硫酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 奎宁硫酸盐 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 奎宁硫酸盐?
The CAS number of 奎宁硫酸盐 is 804-63-7.
What is the molecular formula of 奎宁硫酸盐?
The molecular formula of 奎宁硫酸盐 is C40H50N4O8S.
What is the molecular weight of 奎宁硫酸盐?
The molecular weight of 奎宁硫酸盐 is 746.33 g/mol.
Where can I buy 奎宁硫酸盐?
You can request a quote for 奎宁硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奎宁硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 奎宁硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.