4-Sulfoisophthalic acid
TL;DR: 4-Sulfoisophthalic acid (CAS 51084-31-2) is a chemical compound with molecular formula C8H6O7S and molecular weight 245.98343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-sulfobenzene-1,3-dicarboxylic acid
Also Known As: 4-sulfoisophthalic acid, 4-sulfobenzene-1,3-dicarboxylic Acid, 4-sulfo-isophthalic acid, 1,3-Benzenedicarboxylic acid, 4-sulfo-, 2-sulfo-1,5-benzenedicarboxylic
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6O7S |
| Molecular Weight | 245.98343 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.98343 Da |
| Heavy Atoms | 16 |
| Complexity | 393.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)C(=O)O)S(=O)(=O)O |
| InChIKey | JSYUFUJLFRBMEN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Sulfoisophthalic acid
Property Insights of 4-Sulfoisophthalic acid
The XLogP value of -0.3 indicates that 4-Sulfoisophthalic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Sulfoisophthalic acid. Following Lipinski's Rule of Five, 4-Sulfoisophthalic acid has 3 hydrogen bond donor(s) and 7 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-Sulfoisophthalic acid?
The CAS number of 4-Sulfoisophthalic acid is 51084-31-2.
What is the molecular formula of 4-Sulfoisophthalic acid?
The molecular formula of 4-Sulfoisophthalic acid is C8H6O7S.
What is the molecular weight of 4-Sulfoisophthalic acid?
The molecular weight of 4-Sulfoisophthalic acid is 245.98343 g/mol.
Where can I buy 4-Sulfoisophthalic acid?
You can request a quote for 4-Sulfoisophthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Sulfoisophthalic acid?
Yes, CoreyChem provides custom synthesis services for 4-Sulfoisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.