RefChem:239920
TL;DR: RefChem:239920 (CAS 97404-00-7) is a chemical compound with molecular formula C19H9Cl2N8Na3O9S2 and molecular weight 695.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[5-[(4,6-dichloro-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-(2-(5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3), Trisodium 4-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 4-((5-((4,6-dichloro-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-[[5-[(4,6-dichloro-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-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)
| Molecular Formula | C19H9Cl2N8Na3O9S2 |
|---|---|
| Molecular Weight | 695.90 g/mol |
| LogP | -8.6528 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 695.9004 |
| Heavy Atoms | 43 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 97404-00-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | MDDBJWMJDPVHEL-UHFFFAOYSA-K |
Product Overview
RefChem:239920 (CAS 97404-00-7), with molecular formula C19H9Cl2N8Na3O9S2 and molecular weight 695.90 g/mol. IUPAC: trisodium;4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:239920
Property Insights of RefChem:239920
The XLogP value of -8.6528 indicates that RefChem:239920 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 279.0 Ų indicates high polarity, suggesting RefChem:239920 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:239920 has 1 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:239920?
The CAS number of RefChem:239920 is 97404-00-7.
What is the molecular formula of RefChem:239920?
The molecular formula of RefChem:239920 is C19H9Cl2N8Na3O9S2.
What is the molecular weight of RefChem:239920?
The molecular weight of RefChem:239920 is 695.90 g/mol.
Where can I buy RefChem:239920?
You can request a quote for RefChem:239920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239920?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.