Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt
TL;DR: Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt (CAS 59173-50-1) is a chemical compound with molecular formula C19H17N2Na3O8S2 and molecular weight 534.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[4-butyl-5-oxido-3-oxo-2-(4-sulfonatophenyl)pyrazol-1-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt, Sodium salt of enol-1,2-di-(N-sulphophenyl)-3,5-dioxopyrazolidine, Trisodium 4,4'-(4-butyl-5-oxido-3-oxo-1H-pyrazole-1,2(3H)-diyl)di(benzene-1-sulfonate), trisodium 4-[4-butyl-5-oxido-3-oxo-2-(4-sulfonatophenyl)pyrazol-1-yl]benzenesulfonate, RefChem:325548
| Molecular Formula | C19H17N2Na3O8S2 |
|---|---|
| Molecular Weight | 534.01 g/mol |
| LogP | -8.1354 |
| Topological Polar Surface Area | 164.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.01196 |
| Heavy Atoms | 34 |
| Complexity | 1383.0385 |
Chemical Identifiers
| CAS Number | 59173-50-1 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+] |
Product Overview
Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt (CAS 59173-50-1), with molecular formula C19H17N2Na3O8S2 and molecular weight 534.01 g/mol. IUPAC: trisodium;4-[4-butyl-5-oxido-3-oxo-2-(4-sulfonatophenyl)pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt
Property Insights of Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt
The XLogP value of -8.1354 indicates that Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.39 Ų indicates high polarity, suggesting Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt has 0 hydrogen bond donor(s) and 8 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, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt?
The CAS number of Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt is 59173-50-1.
What is the molecular formula of Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt?
The molecular formula of Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt is C19H17N2Na3O8S2.
What is the molecular weight of Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt?
The molecular weight of Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt is 534.01 g/mol.
Where can I buy Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt?
You can request a quote for Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium 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, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.