RefChem:566050
TL;DR: RefChem:566050 (CAS 94159-73-6) is a chemical compound with molecular formula C36H28N8Na4O16S2 and molecular weight 984.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[3-carboxylato-4-[[1-(2-methoxy-5-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfonatoanilino)butan-2-yl]diazenyl]benzoate
Also Known As: EINECS 303-253-8, C.I. Direct Yellow 69, tetrasodium salt, 5,5'-(Carbonyldiimino)-2-((1-((2-methoxy-5-sulfophenyl)amino)-1,3-dioxo-2-butyl)azo)-2'-((1'-((4'-sulfophenyl)amino)-1',3'-dioxo-2'-butyl)azo)bis(benzoic acid), tetrasodium salt, 5-(((3-Carboxy-4-((1-((2-methoxy-5-sulphoanilino)carbonyl)-2-oxopropyl)azo)anilino)carbonyl)amino)-2-((2-oxo-1-((4-sulphoanilino)carbonyl)propyl)azo)benzoic acid, sodium salt, Benzoic acid, 5-((((3-carboxy-4-((1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)amino)carbonyl)amino)-2-((2-oxo-1-(((4-sulfophenyl)amino)carbonyl)propyl)azo)-, tetrasodium salt
| Molecular Formula | C36H28N8Na4O16S2 |
|---|---|
| Molecular Weight | 984.07 g/mol |
| LogP | -10.7496 |
| Topological Polar Surface Area | 386.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 17 |
| Exact Mass | 984.06555 |
| Heavy Atoms | 66 |
| Complexity | 2798.346 |
Chemical Identifiers
| CAS Number | 94159-73-6 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)[O-])OC)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
RefChem:566050 (CAS 94159-73-6), with molecular formula C36H28N8Na4O16S2 and molecular weight 984.07 g/mol. IUPAC: tetrasodium;5-[[3-carboxylato-4-[[1-(2-methoxy-5-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfonatoanilino)butan-2-yl]diazenyl]benzoate.
Chemical Property Profile of RefChem:566050
Property Insights of RefChem:566050
The XLogP value of -10.7496 indicates that RefChem:566050 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.8 Ų indicates high polarity, suggesting RefChem:566050 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:566050 has 4 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:566050?
The CAS number of RefChem:566050 is 94159-73-6.
What is the molecular formula of RefChem:566050?
The molecular formula of RefChem:566050 is C36H28N8Na4O16S2.
What is the molecular weight of RefChem:566050?
The molecular weight of RefChem:566050 is 984.07 g/mol.
Where can I buy RefChem:566050?
You can request a quote for RefChem:566050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566050?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.