9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride
TL;DR: 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride (CAS 63717-11-3) is a chemical compound with molecular formula C21H27ClN2O2 and molecular weight 374.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-[(2R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride
Also Known As: Quinine, methochloride, Quinine methochloride, 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride, CINCHONAN-9-OL, 6'-METHOXY-, (8-alpha,9R)-, compd. with CHLOROMETHANE (1:1), (1xi,3xi,9S)-9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride
| Molecular Formula | C21H27ClN2O2 |
|---|---|
| Molecular Weight | 374.18 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 | 374.17612 |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 63717-11-3 |
|---|---|
| SMILES | C[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Cl-] |
| InChIKey | JDGBARYFQADTHZ-KCWPWBDNSA-M |
Product Overview
9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride (CAS 63717-11-3), with molecular formula C21H27ClN2O2 and molecular weight 374.18 g/mol. IUPAC: (S)-[(2R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride.
Chemical Property Profile of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride
Property Insights of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride. With a topological polar surface area (TPSA) of 42.4 Ų, 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride 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 chloride?
The CAS number of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride is 63717-11-3.
What is the molecular formula of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride?
The molecular formula of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride is C21H27ClN2O2.
What is the molecular weight of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride?
The molecular weight of 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride is 374.18 g/mol.
Where can I buy 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride?
You can request a quote for 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride 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 chloride?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.