RefChem:79934
TL;DR: RefChem:79934 (CAS 70865-25-7) is a chemical compound with molecular formula C25H15ClN9Na3O12S3 and molecular weight 832.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4-((5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt, 1H-Pyrazole-3-carboxylic acid, 4-(2-(5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3), 1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3), 4-((5-((4-Chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid, trisodium salt, Trisodium hydrogen 4-((5-((4-chloro-6-((4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
| Molecular Formula | C25H15ClN9Na3O12S3 |
|---|---|
| Molecular Weight | 832.94 g/mol |
| LogP | -8.3159 |
| Topological Polar Surface Area | 354.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 832.9384 |
| Heavy Atoms | 53 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 70865-25-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+] |
| InChIKey | LRSKGDUMNPFUKU-UHFFFAOYSA-K |
Product Overview
RefChem:79934 (CAS 70865-25-7), with molecular formula C25H15ClN9Na3O12S3 and molecular weight 832.94 g/mol. IUPAC: trisodium;4-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:79934
Property Insights of RefChem:79934
The XLogP value of -8.3159 indicates that RefChem:79934 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 354.0 Ų indicates high polarity, suggesting RefChem:79934 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79934 has 3 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 RefChem:79934?
The CAS number of RefChem:79934 is 70865-25-7.
What is the molecular formula of RefChem:79934?
The molecular formula of RefChem:79934 is C25H15ClN9Na3O12S3.
What is the molecular weight of RefChem:79934?
The molecular weight of RefChem:79934 is 832.94 g/mol.
Where can I buy RefChem:79934?
You can request a quote for RefChem:79934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79934?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.