![Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate structure](/static/products/7213/72139-20-9.webp)
Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate
TL;DR: Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate (CAS 72139-20-9) is a chemical compound with molecular formula C43H31N9Na4O16S3 and molecular weight 1117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-[[4-[4-[2-[4-[4-[[2-carboxylato-4-(methylsulfamoyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-4-oxobut-2-enoyl]amino]phenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate
| Molecular Formula | C43H31N9Na4O16S3 |
|---|---|
| Molecular Weight | 1117.06 g/mol |
| LogP | -9.5543 |
| Topological Polar Surface Area | 427.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 1117.0642 |
| Heavy Atoms | 75 |
| Complexity | 2440.0 |
Chemical Identifiers
| CAS Number | 72139-20-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)NC)C(=O)[O-])C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC(=O)C=CC(=O)NC5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | MOZDUOVISMVRIV-UHFFFAOYSA-J |
Product Overview
Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate (CAS 72139-20-9), with molecular formula C43H31N9Na4O16S3 and molecular weight 1117.06 g/mol. IUPAC: tetrasodium;5-[[4-[[4-[4-[2-[4-[4-[[2-carboxylato-4-(methylsulfamoyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-4-oxobut-2-enoyl]amino]phenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate
Property Insights of Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate
The XLogP value of -9.5543 indicates that Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 427.0 Ų indicates high polarity, suggesting Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate has 4 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate?
The CAS number of Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate is 72139-20-9.
What is the molecular formula of Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate?
The molecular formula of Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate is C43H31N9Na4O16S3.
What is the molecular weight of Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate?
The molecular weight of Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate is 1117.06 g/mol.
Where can I buy Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate?
You can request a quote for Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Tetrasodium 2-{[1-(4-{2-[4-(4-{4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino}-4-oxobut-2-enamido)-2-sulfonatophenyl]ethenyl}-3-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-(methylsulfamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.