-1-(4-sulfophenyl)-, tetrasodium salt
TL;DR: -1-(4-sulfophenyl)-, tetrasodium salt (CAS 70210-12-7) is a chemical compound with molecular formula C37H21Cl3N12Na4O14S3 and molecular weight 1149.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;4-[[5-[[4-[3-methyl-5-oxo-4-[[2-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-4H-pyrazol-1-yl]benzoyl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: -1-(4-sulfophenyl)-, tetrasodium salt, KST-1B9148, 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-4-((5-((4-(5-hydroxy-3-methyl-4-((2-sulfo-5-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)-1H-pyrazol-1-yl)benzoyl)amino)-2-sulfophenyl)azo)-1-(4-sulfophenyl)-, tetrasodium salt, 1H-Pyrazole-3-carboxylic acid, 4-((5-((4-(4,5-dihydro-3-methyl-5-oxo-4-((2-sulfo-5-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)-1H-pyrazol-1-yl)benzoyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, tetrasodium salt, 1H-Pyrazole-3-carboxylic acid, 4-(2-(5-((4-(4,5-dihydro-3-methyl-5-oxo-4-(2-(2-sulfo-5-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl)-1H-pyrazol-1-yl)benzoyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:4)
| Molecular Formula | C37H21Cl3N12Na4O14S3 |
|---|---|
| Molecular Weight | 1149.91 g/mol |
| LogP | -8.359 |
| Topological Polar Surface Area | 419.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 10 |
| Exact Mass | 1149.9119 |
| Heavy Atoms | 73 |
| Complexity | 2400.0 |
Chemical Identifiers
| CAS Number | 70210-12-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=C(C(=NC(=N3)Cl)Cl)Cl)S(=O)(=O)[O-])C4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)S(=O)(=O)[O-])N=NC6C(=NN(C6=O)C7=CC=C(C=C7)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | XIXZXVKCIZGDOM-UHFFFAOYSA-J |
Product Overview
-1-(4-sulfophenyl)-, tetrasodium salt (CAS 70210-12-7), with molecular formula C37H21Cl3N12Na4O14S3 and molecular weight 1149.91 g/mol. IUPAC: tetrasodium;4-[[5-[[4-[3-methyl-5-oxo-4-[[2-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-4H-pyrazol-1-yl]benzoyl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of -1-(4-sulfophenyl)-, tetrasodium salt
Property Insights of -1-(4-sulfophenyl)-, tetrasodium salt
The XLogP value of -8.359 indicates that -1-(4-sulfophenyl)-, tetrasodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 419.0 Ų indicates high polarity, suggesting -1-(4-sulfophenyl)-, tetrasodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, -1-(4-sulfophenyl)-, tetrasodium salt has 2 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of -1-(4-sulfophenyl)-, tetrasodium salt?
The CAS number of -1-(4-sulfophenyl)-, tetrasodium salt is 70210-12-7.
What is the molecular formula of -1-(4-sulfophenyl)-, tetrasodium salt?
The molecular formula of -1-(4-sulfophenyl)-, tetrasodium salt is C37H21Cl3N12Na4O14S3.
What is the molecular weight of -1-(4-sulfophenyl)-, tetrasodium salt?
The molecular weight of -1-(4-sulfophenyl)-, tetrasodium salt is 1149.91 g/mol.
Where can I buy -1-(4-sulfophenyl)-, tetrasodium salt?
You can request a quote for -1-(4-sulfophenyl)-, tetrasodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for -1-(4-sulfophenyl)-, tetrasodium salt?
Yes, KEHONG BIO provides custom synthesis services for -1-(4-sulfophenyl)-, tetrasodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.