4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid
TL;DR: 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid (CAS 7608-56-2) is a chemical compound with molecular formula C8H12O5S and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2,6-dioxocyclohexane-1-sulfonic acid
Also Known As: 4,4-dimethyl-2,6-dioxocyclohexane-1-sulfonic acid, 5,5-dimethyl-1,3-cyclohexanedione-2-sulfonic acid, 4,4-dimethyl-2,6-dioxo-cyclohexane-1-sulfonic Acid
| Molecular Formula | C8H12O5S |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 0.201 |
| Topological Polar Surface Area | 88.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.04054 |
| Heavy Atoms | 14 |
| Complexity | 358.53583 |
Chemical Identifiers
| CAS Number | 7608-56-2 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)S(=O)(=O)O)C |
Product Overview
4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid (CAS 7608-56-2), with molecular formula C8H12O5S and molecular weight 220.04 g/mol. IUPAC: 4,4-dimethyl-2,6-dioxocyclohexane-1-sulfonic acid.
Chemical Property Profile of 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid
Property Insights of 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid
The XLogP value of 0.201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid. The TPSA of 88.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid. Following Lipinski's Rule of Five, 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid 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 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid?
The CAS number of 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid is 7608-56-2.
What is the molecular formula of 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid?
The molecular formula of 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid is C8H12O5S.
What is the molecular weight of 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid?
The molecular weight of 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid is 220.04 g/mol.
Where can I buy 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid?
You can request a quote for 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2,6-dioxocyclohexane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.