Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)
TL;DR: Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?) (CAS 7778-93-0) is a chemical compound with molecular formula C20H26N2O6S and molecular weight 422.15 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
Also Known As: Optochinidin, quinine sulfate, Quinine, sulfate (salt), A,9r)-6'-methoxycinchonan-9-ol sulfate(1:1), (8alpha,9R)-6'-Methoxycinchonan-9-ol, salt with sulphuric acid
| Molecular Formula | C20H26N2O6S |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 2.52 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.15115 |
| Heavy Atoms | 29 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 7778-93-0 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O |
| InChIKey | AKYHKWQPZHDOBW-YYQSSQEESA-N |
Product Overview
Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?) (CAS 7778-93-0), with molecular formula C20H26N2O6S and molecular weight 422.15 g/mol. IUPAC: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid.
Chemical Property Profile of Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)
Property Insights of Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)
The XLogP value of 2.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?). The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?). Following Lipinski's Rule of Five, Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?) has 3 hydrogen bond donor(s) and 8 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 Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)?
The CAS number of Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?) is 7778-93-0.
What is the molecular formula of Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)?
The molecular formula of Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?) is C20H26N2O6S.
What is the molecular weight of Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)?
The molecular weight of Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?) is 422.15 g/mol.
Where can I buy Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)?
You can request a quote for Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?)?
Yes, KEHONG BIO provides custom synthesis services for Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.