benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt
TL;DR: benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt (CAS 57772-61-9) is a chemical compound with molecular formula C26H22CaO14S4 and molecular weight 725.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate)
Also Known As: 5-Amino-2-iodo-benzoic acid, Calcium 2,5-dihydroxy-4-tosylbenzenesulfonate, Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt, 2,5-Dihydroxy-4-((4-methylphenyl)sulfonyl)benzenesulfonic acid calcium salt, calcium 2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate
| Molecular Formula | C26H22CaO14S4 |
|---|---|
| Molecular Weight | 725.95 g/mol |
| LogP | 1.90544 |
| Topological Polar Surface Area | 263.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 725.95184 |
| Heavy Atoms | 45 |
| Complexity | 2020.1165 |
Chemical Identifiers
| CAS Number | 57772-61-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])O.CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])O.[Ca+2] |
Product Overview
benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt (CAS 57772-61-9), with molecular formula C26H22CaO14S4 and molecular weight 725.95 g/mol. IUPAC: calcium bis(2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonate).
Chemical Property Profile of benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt
Property Insights of benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt
The XLogP value of 1.90544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt. The TPSA of 263.6 Ų indicates high polarity, suggesting benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt?
The CAS number of benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt is 57772-61-9.
What is the molecular formula of benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt?
The molecular formula of benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt is C26H22CaO14S4.
What is the molecular weight of benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt?
The molecular weight of benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt is 725.95 g/mol.
Where can I buy benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt?
You can request a quote for benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt 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-4-((4-methylphenyl)sulfonyl)-, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.