9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide
TL;DR: 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide (CAS 63717-09-9) is a chemical compound with molecular formula C25H35BrN2O2 and molecular weight 474.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide
Also Known As: Quinine, isoamylbromide, Quinine isoamylbromide, Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)-, compd. with 1-bromo-3-methylbutane (1:1), 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide, Butane, 1-bromo-3-methyl-, compd. with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1)
| Molecular Formula | C25H35BrN2O2 |
|---|---|
| Molecular Weight | 474.19 g/mol |
| LogP | 1.74 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.1882 |
| Heavy Atoms | 30 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 63717-09-9 |
|---|---|
| SMILES | CC(C)CC[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Br-] |
| InChIKey | KQNVLZYYDYGQMY-LBCIAOCBSA-M |
Product Overview
9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide (CAS 63717-09-9), with molecular formula C25H35BrN2O2 and molecular weight 474.19 g/mol. IUPAC: (S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide.
Chemical Property Profile of 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide
Property Insights of 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide
The XLogP value of 1.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide. With a topological polar surface area (TPSA) of 42.4 Ų, 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide 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-(3-methylbutyl)cinchonan-1-ium bromide?
The CAS number of 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide is 63717-09-9.
What is the molecular formula of 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide?
The molecular formula of 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide is C25H35BrN2O2.
What is the molecular weight of 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide?
The molecular weight of 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide is 474.19 g/mol.
Where can I buy 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide?
You can request a quote for 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide 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-(3-methylbutyl)cinchonan-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.