1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-
TL;DR: 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- (CAS 51579-78-3) is a chemical compound with molecular formula C6H4O5S and molecular weight 187.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dioxocyclohexa-1,4-diene-1-sulfonic acid
Also Known As: quinonsulfonic acid, Calcium Dobesilate Impurity 1, 2-Sulfo-1,4-benzoquinone, 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-, 3,6-dioxocyclohexa-1,4-diene-1-sulfonic Acid
| Molecular Formula | C6H4O5S |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | -0.5339 |
| Topological Polar Surface Area | 88.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.97795 |
| Heavy Atoms | 12 |
| Complexity | 397.6544 |
Chemical Identifiers
| CAS Number | 51579-78-3 |
|---|---|
| SMILES | C1=CC(=O)C(=CC1=O)S(=O)(=O)O |
Product Overview
1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- (CAS 51579-78-3), with molecular formula C6H4O5S and molecular weight 187.98 g/mol. IUPAC: 3,6-dioxocyclohexa-1,4-diene-1-sulfonic acid.
Chemical Property Profile of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-
Property Insights of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-
The XLogP value of -0.5339 indicates that 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- 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 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-?
The CAS number of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- is 51579-78-3.
What is the molecular formula of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-?
The molecular formula of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- is C6H4O5S.
What is the molecular weight of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-?
The molecular weight of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- is 187.98 g/mol.
Where can I buy 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-?
You can request a quote for 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.