Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1)
TL;DR: Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) (CAS 51854-84-3) is a chemical compound with molecular formula C6H4CaO8S2 and molecular weight 307.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 5-hydroxy-2-oxidooxysulfonylbenzenesulfonate
Also Known As: Calcium 2,5-dihydroxybenzenesulfonate (1:1), p-Dihydroxybenzenedisulfonate de calcium, p-Dihydroxybenzenedisulfonate de calcium [French], Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1), calcium 5-hydroxy-2-oxidooxysulfonylbenzenesulfonate
| Molecular Formula | C6H4CaO8S2 |
|---|---|
| Molecular Weight | 307.90 g/mol |
| LogP | -2.1039 |
| Topological Polar Surface Area | 143.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.89734 |
| Heavy Atoms | 17 |
| Complexity | 604.9026 |
Chemical Identifiers
| CAS Number | 51854-84-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)S(=O)(=O)[O-])S(=O)(=O)O[O-].[Ca+2] |
Product Overview
Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) (CAS 51854-84-3), with molecular formula C6H4CaO8S2 and molecular weight 307.90 g/mol. IUPAC: calcium 5-hydroxy-2-oxidooxysulfonylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1)
Property Insights of Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1)
The XLogP value of -2.1039 indicates that Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.86 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) has 1 hydrogen bond donor(s) and 8 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 Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1)?
The CAS number of Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) is 51854-84-3.
What is the molecular formula of Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1)?
The molecular formula of Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) is C6H4CaO8S2.
What is the molecular weight of Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1)?
The molecular weight of Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) is 307.90 g/mol.
Where can I buy Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1)?
You can request a quote for Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.