4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid
TL;DR: 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid (CAS 10595-31-0) is a chemical compound with molecular formula C16H10O10S and molecular weight 394.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dicarboxyphenyl)sulfonylphthalic acid
Also Known As: 4,4'-Sulfonyldiphthalic acid, 4,4'-Sulfonylbis(phthalic acid), 4,4 -Sulfonyldiphthalic acid, 4-(3,4-dicarboxyphenyl)sulfonylphthalic acid, 4,4 -Sulfonylbisphthalic acid
| Molecular Formula | C16H10O10S |
|---|---|
| Molecular Weight | 394.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.99948 |
| Heavy Atoms | 27 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 10595-31-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | AVCOFPOLGHKJQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid (CAS 10595-31-0), with molecular formula C16H10O10S and molecular weight 394.00 g/mol. IUPAC: 4-(3,4-dicarboxyphenyl)sulfonylphthalic acid.
Chemical Property Profile of 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid
Property Insights of 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid. The TPSA of 192.0 Ų indicates high polarity, suggesting 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(3,4-Dicarboxyphenyl)sulfonylphthalic 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
Frequently Asked Questions
What is the CAS number of 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid?
The CAS number of 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid is 10595-31-0.
What is the molecular formula of 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid?
The molecular formula of 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid is C16H10O10S.
What is the molecular weight of 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid?
The molecular weight of 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid is 394.00 g/mol.
Where can I buy 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid?
You can request a quote for 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dicarboxyphenyl)sulfonylphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.