(1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)
TL;DR: (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) (CAS 549-48-4) is a chemical compound with molecular formula C20H26I2N2O2 and molecular weight 580.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydroiodide
Also Known As: Quinine hydriodide, (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)
| Molecular Formula | C20H26I2N2O2 |
|---|---|
| Molecular Weight | 580.01 g/mol |
| LogP | 4.4092 |
| Topological Polar Surface Area | 45.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 580.00836 |
| Heavy Atoms | 26 |
| Complexity | 770.55963 |
Chemical Identifiers
| CAS Number | 549-48-4 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.I.I |
Product Overview
(1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) (CAS 549-48-4), with molecular formula C20H26I2N2O2 and molecular weight 580.01 g/mol. IUPAC: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydroiodide.
Chemical Property Profile of (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)
Property Insights of (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)
The XLogP value of 4.4092 indicates that (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.59 Ų, (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)?
The CAS number of (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) is 549-48-4.
What is the molecular formula of (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)?
The molecular formula of (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) is C20H26I2N2O2.
What is the molecular weight of (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)?
The molecular weight of (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) is 580.01 g/mol.
Where can I buy (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)?
You can request a quote for (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2)?
Yes, KEHONG BIO provides custom synthesis services for (1xi,9R)-6'-Methoxy-3alpha,8alpha-cinchonan-9-ol--hydrogen iodide (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.