RefChem:79932
TL;DR: RefChem:79932 (CAS 70865-28-0) is a chemical compound with molecular formula C19H10Cl2N8Na2O9S2 and molecular weight 673.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, disodium salt, 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:2), 4-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid, disodium salt, 1H-Pyrazole-3-carboxylic acid, 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, disodium salt, 1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:2)
| Molecular Formula | C19H10Cl2N8Na2O9S2 |
|---|---|
| Molecular Weight | 673.92 g/mol |
| LogP | -5.3142 |
| Topological Polar Surface Area | 277.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 673.91846 |
| Heavy Atoms | 42 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 70865-28-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | XXKGFGPRHOVYBA-UHFFFAOYSA-L |
Product Overview
RefChem:79932 (CAS 70865-28-0), with molecular formula C19H10Cl2N8Na2O9S2 and molecular weight 673.92 g/mol. IUPAC: disodium;4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:79932
Property Insights of RefChem:79932
The XLogP value of -5.3142 indicates that RefChem:79932 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.0 Ų indicates high polarity, suggesting RefChem:79932 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79932 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79932?
The CAS number of RefChem:79932 is 70865-28-0.
What is the molecular formula of RefChem:79932?
The molecular formula of RefChem:79932 is C19H10Cl2N8Na2O9S2.
What is the molecular weight of RefChem:79932?
The molecular weight of RefChem:79932 is 673.92 g/mol.
Where can I buy RefChem:79932?
You can request a quote for RefChem:79932 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79932?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79932 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.