9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide
TL;DR: 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide (CAS 42982-87-6) is a chemical compound with molecular formula C21H27IN2O2 and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-[(2R,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol iodide
Also Known As: Quinidine methiodide, Methylquinidinium, iodide, Quinidine-alpha-methiodide, 1-Methylquinidinium iodide, Quinidinium, methyl-, iodide
| Molecular Formula | C21H27IN2O2 |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 0.32 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.11172 |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 42982-87-6 |
|---|---|
| SMILES | C[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)[C@H](C2)C=C.[I-] |
| InChIKey | AJQSDVGBERUTGX-QVEQJUGRSA-M |
Product Overview
9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide (CAS 42982-87-6), with molecular formula C21H27IN2O2 and molecular weight 466.11 g/mol. IUPAC: (S)-[(2R,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol iodide.
Chemical Property Profile of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide
Property Insights of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide. With a topological polar surface area (TPSA) of 42.4 Ų, 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide has 1 hydrogen bond donor(s) and 4 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 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide?
The CAS number of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide is 42982-87-6.
What is the molecular formula of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide?
The molecular formula of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide is C21H27IN2O2.
What is the molecular weight of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide?
The molecular weight of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide is 466.11 g/mol.
Where can I buy 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide?
You can request a quote for 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.