2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid
TL;DR: 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid (CAS 88592-35-2) is a chemical compound with molecular formula C13H10O9S2 and molecular weight 373.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-sulfophenoxy)sulfonylbenzoic acid
Also Known As: 2-Hcbsbs, 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid, 4-(4-hydroxy-3-sulfophenoxy)sulfonylbenzoic acid, 4-[(4-hydroxy-3-sulfophenoxy)sulfonyl]benzoic acid, 2-hydroxy-5-(4-carboxyphenylsulfonyloxy)benzene sulfonic acid
| Molecular Formula | C13H10O9S2 |
|---|---|
| Molecular Weight | 373.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.97662 |
| Heavy Atoms | 24 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 88592-35-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O |
| InChIKey | PNWCRNBMOFREFL-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid (CAS 88592-35-2), with molecular formula C13H10O9S2 and molecular weight 373.98 g/mol. IUPAC: 4-(4-hydroxy-3-sulfophenoxy)sulfonylbenzoic acid.
Chemical Property Profile of 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid
Property Insights of 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid. The TPSA of 172.0 Ų indicates high polarity, suggesting 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid has 3 hydrogen bond donor(s) and 9 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 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid?
The CAS number of 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid is 88592-35-2.
What is the molecular formula of 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid?
The molecular formula of 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid is C13H10O9S2.
What is the molecular weight of 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid?
The molecular weight of 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid is 373.98 g/mol.
Where can I buy 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid?
You can request a quote for 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.