Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt
TL;DR: Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt (CAS 59173-51-2) is a chemical compound with molecular formula C21H13N2Na3O11S3 and molecular weight 633.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[3-hydroxy-5-oxo-1,2-bis(4-sulfonatophenyl)pyrazol-4-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt, Sodium salt of enol-1,2,4-tri-(N-sulphophenyl)-3,5-dioxopyrazolidine, trisodium 4-[3-hydroxy-5-oxo-1,2-bis(4-sulfonatophenyl)pyrazol-4-yl]benzenesulfonate, Trisodium 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tri(benzene-1-sulfonate), RefChem:325545
| Molecular Formula | C21H13N2Na3O11S3 |
|---|---|
| Molecular Weight | 633.94 g/mol |
| LogP | -8.2749 |
| Topological Polar Surface Area | 218.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 633.93744 |
| Heavy Atoms | 40 |
| Complexity | 1902.9012 |
Chemical Identifiers
| CAS Number | 59173-51-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(N(N(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt (CAS 59173-51-2), with molecular formula C21H13N2Na3O11S3 and molecular weight 633.94 g/mol. IUPAC: trisodium;4-[3-hydroxy-5-oxo-1,2-bis(4-sulfonatophenyl)pyrazol-4-yl]benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt
Property Insights of Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt
The XLogP value of -8.2749 indicates that Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.76 Ų indicates high polarity, suggesting Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt has 1 hydrogen bond donor(s) and 11 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''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt?
The CAS number of Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt is 59173-51-2.
What is the molecular formula of Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt?
The molecular formula of Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt is C21H13N2Na3O11S3.
What is the molecular weight of Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt?
The molecular weight of Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt is 633.94 g/mol.
Where can I buy Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt?
You can request a quote for Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, 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''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.