9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium
TL;DR: 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium (CAS 26075-98-9) is a chemical compound with molecular formula C20H25N2O5S2+ and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-ethenyl-1-sulfosulfanyl-1-azoniabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]-6-methoxyquinoline
Also Known As: 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium, S-(9-Hydroxy-6'-methoxycinchonan-1-ium-1-yl) hydrogen sulfurothioate, 4-[(5-ethenyl-1-sulfosulfanyl-1-azoniabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]-6-methoxyquinoline
| Molecular Formula | C20H25N2O5S2+ |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 3.139 |
| Topological Polar Surface Area | 96.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.12048 |
| Heavy Atoms | 29 |
| Complexity | 1044.3434 |
Chemical Identifiers
| CAS Number | 26075-98-9 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[N+]3(CC4C=C)SS(=O)(=O)O)O |
Product Overview
9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium (CAS 26075-98-9), with molecular formula C20H25N2O5S2+ and molecular weight 437.12 g/mol. IUPAC: 4-[(5-ethenyl-1-sulfosulfanyl-1-azoniabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]-6-methoxyquinoline.
Chemical Property Profile of 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium
Property Insights of 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium
The XLogP value of 3.139 indicates that 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium. Following Lipinski's Rule of Five, 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium has 2 hydrogen bond donor(s) and 6 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-(sulfosulfanyl)cinchonan-1-ium?
The CAS number of 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium is 26075-98-9.
What is the molecular formula of 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium?
The molecular formula of 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium is C20H25N2O5S2+.
What is the molecular weight of 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium?
The molecular weight of 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium is 437.12 g/mol.
Where can I buy 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium?
You can request a quote for 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium 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-(sulfosulfanyl)cinchonan-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-6'-methoxy-1-(sulfosulfanyl)cinchonan-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.