4,6-Disulphoisophthalic acid
TL;DR: 4,6-Disulphoisophthalic acid (CAS 22411-53-6) is a chemical compound with molecular formula C8H6O10S2 and molecular weight 325.94025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-disulfobenzene-1,3-dicarboxylic acid
Also Known As: 4,6-disulfoisophthalic acid, 4,6-Disulphoisophthalic acid, disulfoisophthalic acid, 4,6-Di-sulfoisophthalic acid, 4,6-Di-sulphoisophthalic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6O10S2 |
| Molecular Weight | 325.94025 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.94025 Da |
| Heavy Atoms | 20 |
| Complexity | 553.0 |
| SMILES | C1=C(C(=CC(=C1C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)O |
| InChIKey | QZVPBBKGFDYOJB-UHFFFAOYSA-N |
Chemical Property Profile of 4,6-Disulphoisophthalic acid
Property Insights of 4,6-Disulphoisophthalic acid
The XLogP value of -1.5 indicates that 4,6-Disulphoisophthalic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting 4,6-Disulphoisophthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Disulphoisophthalic acid has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,6-Disulphoisophthalic acid?
The CAS number of 4,6-Disulphoisophthalic acid is 22411-53-6.
What is the molecular formula of 4,6-Disulphoisophthalic acid?
The molecular formula of 4,6-Disulphoisophthalic acid is C8H6O10S2.
What is the molecular weight of 4,6-Disulphoisophthalic acid?
The molecular weight of 4,6-Disulphoisophthalic acid is 325.94025 g/mol.
Where can I buy 4,6-Disulphoisophthalic acid?
You can request a quote for 4,6-Disulphoisophthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,6-Disulphoisophthalic acid?
Yes, CoreyChem provides custom synthesis services for 4,6-Disulphoisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.