1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide
TL;DR: 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide (CAS 63717-08-8) is a chemical compound with molecular formula C26H37BrN2O2 and molecular weight 488.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-[(2R)-5-ethenyl-1-hexyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide
Also Known As: Quinine, hexylbromide, Quinine hexylbromide, 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide, Hexane, 1-bromo-, compd with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1), Hexane, 1-bromo-, compd. with (8-alpha,9R)-6'methoxycinchonan-9-ol (1:1)
| Molecular Formula | C26H37BrN2O2 |
|---|---|
| Molecular Weight | 488.20 g/mol |
| LogP | 2.27 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.20383 |
| Heavy Atoms | 31 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 63717-08-8 |
|---|---|
| SMILES | CCCCCC[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Br-] |
| InChIKey | HHVSGZJTRORQKO-RRAKKABASA-M |
Product Overview
1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide (CAS 63717-08-8), with molecular formula C26H37BrN2O2 and molecular weight 488.20 g/mol. IUPAC: (S)-[(2R)-5-ethenyl-1-hexyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide.
Chemical Property Profile of 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide
Property Insights of 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide
The XLogP value of 2.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide. With a topological polar surface area (TPSA) of 42.4 Ų, 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexyl-9-hydroxy-6'-methoxycinchonan-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 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide?
The CAS number of 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide is 63717-08-8.
What is the molecular formula of 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide?
The molecular formula of 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide is C26H37BrN2O2.
What is the molecular weight of 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide?
The molecular weight of 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide is 488.20 g/mol.
Where can I buy 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide?
You can request a quote for 1-Hexyl-9-hydroxy-6'-methoxycinchonan-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 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.