Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7)
TL;DR: Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) (CAS 6183-68-2) is a chemical compound with molecular formula C20H42N2O17S2 and molecular weight 646.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;heptahydrate
Also Known As: Biquinate, Quinine bisulfate, Quinine sulfate heptahydrate, Quinine bisulfate heptahydrate, KST-1A6767
| Molecular Formula | C20H42N2O17S2 |
|---|---|
| Molecular Weight | 646.19 g/mol |
| LogP | -3.91 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 4 |
| Exact Mass | 646.1925 |
| Heavy Atoms | 41 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 6183-68-2 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.O.O.O.O.O.O.O.OS(=O)(=O)O.OS(=O)(=O)O |
| InChIKey | QRINDWCWGOHSTN-JVIBAXFZSA-N |
Product Overview
Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) (CAS 6183-68-2), with molecular formula C20H42N2O17S2 and molecular weight 646.19 g/mol. IUPAC: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;heptahydrate.
Chemical Property Profile of Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7)
Property Insights of Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7)
The XLogP value of -3.91 indicates that Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7)?
The CAS number of Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) is 6183-68-2.
What is the molecular formula of Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7)?
The molecular formula of Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) is C20H42N2O17S2.
What is the molecular weight of Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7)?
The molecular weight of Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) is 646.19 g/mol.
Where can I buy Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7)?
You can request a quote for Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7)?
Yes, KEHONG BIO provides custom synthesis services for Sulfuric acid--6'-methoxycinchonan-9-ol--water (2/1/7) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.