1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride
TL;DR: 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride (CAS 63717-06-6) is a chemical compound with molecular formula C24H33ClN2O2 and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-[(2R)-1-butyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride
Also Known As: Quinine butylchloride, Quinine, n-butylchloride, 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride, Butane, 1-chloro-, compd. with (8-alpha,9R)-6'-methoxycinchonan-9-ol (1:1), CINCHONAN-9-OL, 6'-METHOXY-, (8-alpha,9R)-, compd. with 1-CHLOROBUTANE (1:1)
| Molecular Formula | C24H33ClN2O2 |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 1.49 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.22305 |
| Heavy Atoms | 29 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 63717-06-6 |
|---|---|
| SMILES | CCCC[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Cl-] |
| InChIKey | DMNGQHXPFKCWOC-HPABIPFQSA-M |
Product Overview
1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride (CAS 63717-06-6), with molecular formula C24H33ClN2O2 and molecular weight 416.22 g/mol. IUPAC: (S)-[(2R)-1-butyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride.
Chemical Property Profile of 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride
Property Insights of 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride. With a topological polar surface area (TPSA) of 42.4 Ų, 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-9-hydroxy-6'-methoxycinchonan-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 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride?
The CAS number of 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride is 63717-06-6.
What is the molecular formula of 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride?
The molecular formula of 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride is C24H33ClN2O2.
What is the molecular weight of 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride?
The molecular weight of 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride is 416.22 g/mol.
Where can I buy 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride?
You can request a quote for 1-Butyl-9-hydroxy-6'-methoxycinchonan-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 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.