8-Sulfanyl-5-quinolinesulfonic acid hemihydrate
TL;DR: 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate (CAS 306935-17-1) is a chemical compound with molecular formula C18H16N2O7S4 and molecular weight 499.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(8-sulfanylquinoline-5-sulfonic acid);hydrate
Also Known As: 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate, 8-sulfanylquinoline-5-sulfonic acid;hydrate, 8-sulfanylquinoline-5-sulfonic Acid Hydrate, 8-Sulphanyl-5-quinolinesulphonic acid hemihydrate, bis(8-sulfanylquinoline-5-sulfonic acid) hydrate
| Molecular Formula | C18H16N2O7S4 |
|---|---|
| Molecular Weight | 499.98 g/mol |
| LogP | 2.7157 |
| Topological Polar Surface Area | 166.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 499.98404 |
| Heavy Atoms | 31 |
| Complexity | 1360.0619 |
Chemical Identifiers
| CAS Number | 306935-17-1 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2N=C1)S)S(=O)(=O)O.C1=CC2=C(C=CC(=C2N=C1)S)S(=O)(=O)O.O |
Product Overview
8-Sulfanyl-5-quinolinesulfonic acid hemihydrate (CAS 306935-17-1), with molecular formula C18H16N2O7S4 and molecular weight 499.98 g/mol. IUPAC: bis(8-sulfanylquinoline-5-sulfonic acid);hydrate.
Chemical Property Profile of 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate
Property Insights of 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate
The XLogP value of 2.7157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate. The TPSA of 166.02 Ų indicates high polarity, suggesting 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate has 4 hydrogen bond donor(s) and 8 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 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate?
The CAS number of 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate is 306935-17-1.
What is the molecular formula of 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate?
The molecular formula of 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate is C18H16N2O7S4.
What is the molecular weight of 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate?
The molecular weight of 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate is 499.98 g/mol.
Where can I buy 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate?
You can request a quote for 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 8-Sulfanyl-5-quinolinesulfonic acid hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.