4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid
TL;DR: 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid (CAS 84682-07-5) is a chemical compound with molecular formula C32H26N8O14S4 and molecular weight 874.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid
Also Known As: 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid, 5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid, [1,1'-Biphenyl]-2,2'-disulfonicacid,4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, 4,4 -Bis[[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol]-4-yl]azo][1,1 -biphenyl]-2,2 -disulfonic acid, 4,4'-bis({2-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazen-1-yl})-[1,1'-biphenyl]-2,2'-disulfonic acid
| Molecular Formula | C32H26N8O14S4 |
|---|---|
| Molecular Weight | 874.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 366.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 874.0451 |
| Heavy Atoms | 58 |
| Complexity | 2010.0 |
Chemical Identifiers
| CAS Number | 84682-07-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)S(=O)(=O)O)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)O |
| InChIKey | OLVWUHJTNDWHFJ-UHFFFAOYSA-N |
Product Overview
4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid (CAS 84682-07-5), with molecular formula C32H26N8O14S4 and molecular weight 874.05 g/mol. IUPAC: 5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid.
Chemical Property Profile of 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid
Property Insights of 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid. The TPSA of 366.0 Ų indicates high polarity, suggesting 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid has 4 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid?
The CAS number of 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid is 84682-07-5.
What is the molecular formula of 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid?
The molecular formula of 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid is C32H26N8O14S4.
What is the molecular weight of 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid?
The molecular weight of 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid is 874.05 g/mol.
Where can I buy 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid?
You can request a quote for 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.