4-Sulfophthalic acid
TL;DR: 4-Sulfophthalic acid (CAS 89-08-7) is a chemical compound with molecular formula C8H6O7S and molecular weight 245.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfophthalic acid
Also Known As: 4-SULFOPHTHALIC ACID, 4-Sulphophthalic acid, Phthalic acid, 4-sulfo-, 4-sulfophthalsyre, 5-sulfophthalic acid
| Molecular Formula | C8H6O7S |
|---|---|
| Molecular Weight | 245.98 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.98343 |
| Heavy Atoms | 16 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 89-08-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)C(=O)O |
| InChIKey | WNKQDGLSQUASME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Sulfophthalic acid (CAS 89-08-7), with molecular formula C8H6O7S and molecular weight 245.98 g/mol. IUPAC: 4-sulfophthalic acid.
Chemical Property Profile of 4-Sulfophthalic acid
Property Insights of 4-Sulfophthalic acid
The XLogP value of -0.3 indicates that 4-Sulfophthalic 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-Sulfophthalic acid. Following Lipinski's Rule of Five, 4-Sulfophthalic 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
Frequently Asked Questions
What is the CAS number of 4-Sulfophthalic acid?
The CAS number of 4-Sulfophthalic acid is 89-08-7.
What is the molecular formula of 4-Sulfophthalic acid?
The molecular formula of 4-Sulfophthalic acid is C8H6O7S.
What is the molecular weight of 4-Sulfophthalic acid?
The molecular weight of 4-Sulfophthalic acid is 245.98 g/mol.
Where can I buy 4-Sulfophthalic acid?
You can request a quote for 4-Sulfophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sulfophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Sulfophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.