RefChem:95400
TL;DR: RefChem:95400 (CAS 89923-43-3) is a chemical compound with molecular formula C24H20ClN8Na3O11S3 and molecular weight 795.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate
Also Known As: 3-Pyridinemethanesulfonic acid, 5-(2-(5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-, sodium salt (1:3), Trisodium 5-((5-((4-chloro-6-((3-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate, 3-Pyridinemethanesulfonic acid, 5-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-, trisodium salt, 3-Pyridinemethanesulfonic acid, 5-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-, trisodium salt, 3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-, sodium salt (1:3)
| Molecular Formula | C24H20ClN8Na3O11S3 |
|---|---|
| Molecular Weight | 795.98 g/mol |
| LogP | -6.51138 |
| Topological Polar Surface Area | 325.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 795.97955 |
| Heavy Atoms | 50 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 89923-43-3 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C)CS(=O)(=O)[O-])O.[Na+].[Na+].[Na+] |
| InChIKey | FUAXQTLXVKERNR-UHFFFAOYSA-K |
Product Overview
RefChem:95400 (CAS 89923-43-3), with molecular formula C24H20ClN8Na3O11S3 and molecular weight 795.98 g/mol. IUPAC: trisodium;4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate.
Chemical Property Profile of RefChem:95400
Property Insights of RefChem:95400
The XLogP value of -6.51138 indicates that RefChem:95400 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 325.0 Ų indicates high polarity, suggesting RefChem:95400 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:95400 has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:95400?
The CAS number of RefChem:95400 is 89923-43-3.
What is the molecular formula of RefChem:95400?
The molecular formula of RefChem:95400 is C24H20ClN8Na3O11S3.
What is the molecular weight of RefChem:95400?
The molecular weight of RefChem:95400 is 795.98 g/mol.
Where can I buy RefChem:95400?
You can request a quote for RefChem:95400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95400?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.