9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride
TL;DR: 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride (CAS 63717-13-5) is a chemical compound with molecular formula C23H31ClN2O2 and molecular weight 402.2074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride
Also Known As: Quinine propyl chloride, Quinine, n-propyl chloride, 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride, Propane, 1-chloro-, compd. with (8-alpha,9R)-6'-methoxycinchonan-9-ol (1:1), CINCHONAN-9-OL, 6'-METHOXY-, (8-alpha,9R)-, compd. with 1-CHLOROPROPANE (1:1)
Technical Specifications
| Molecular Formula | C23H31ClN2O2 |
| Molecular Weight | 402.2074 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.2074 Da |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
| SMILES | CCC[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Cl-] |
| InChIKey | WWMPOSZANYFKNP-XJXJHPFJSA-M |
Chemical Property Profile of 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride
Property Insights of 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride. With a topological polar surface area (TPSA) of 42.4 Ų, 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Hydroxy-6'-methoxy-1-propylcinchonan-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
What is the CAS number of 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride?
The CAS number of 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride is 63717-13-5.
What is the molecular formula of 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride?
The molecular formula of 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride is C23H31ClN2O2.
What is the molecular weight of 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride?
The molecular weight of 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride is 402.2074 g/mol.
Where can I buy 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride?
You can request a quote for 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride?
Yes, CoreyChem provides custom synthesis services for 9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.