Azo dye
TL;DR: Azo dye (CAS 97337-85-4) is a chemical compound with molecular formula C45H38N9Na3O13S and molecular weight 1013.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-acetamido-2-[[1-[4-[4-[[2-[[2-carboxylato-4-[(4-sulfonatophenyl)carbamoylamino]phenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]benzoate
Also Known As: Azo dye, 2-((1-(((4'-(2-((4-Acetamido-2-carboxyphenyl)azo)acetoacetamido)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)azo)-5-(((4-sulphoanilino)carbonyl)amino)benzoic acid, sodium salt, Benzoic acid, 2-((1-(((4'-((2-((4-(acetylamino)-2-carboxyphenyl)azo)-1,3-dioxobutyl)amino)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)azo)-5-((((4-sulfophenyl)amino)carbonyl)amino)-, trisodium salt, Benzoic acid, 2-(2-(1-(((4'-((2-(2-(4-(acetylamino)-2-carboxyphenyl)diazenyl)-1,3-dioxobutyl)amino)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)diazenyl)-5-((((4-sulfophenyl)amino)carbonyl)amino)-, sodium salt (1:3), Benzoic acid, 2-((1-(((4'-((2-((4-(acetylamino)-2-carboxyphenyl)azo)-1,3-dioxobutyl)amino)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)azo)-5-((((4-sulfop henyl)amino)carbonyl)amino)-, trisodium salt
| Molecular Formula | C45H38N9Na3O13S |
|---|---|
| Molecular Weight | 1013.20 g/mol |
| LogP | -4.42406 |
| Topological Polar Surface Area | 358.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 1013.20026 |
| Heavy Atoms | 71 |
| Complexity | 2020.0 |
Chemical Identifiers
| CAS Number | 97337-85-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])C)NC(=O)C(C(=O)C)N=NC5=C(C=C(C=C5)NC(=O)C)C(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | XFPDJDWDAYFSSF-UHFFFAOYSA-K |
Product Overview
Azo dye (CAS 97337-85-4), with molecular formula C45H38N9Na3O13S and molecular weight 1013.20 g/mol. IUPAC: trisodium;5-acetamido-2-[[1-[4-[4-[[2-[[2-carboxylato-4-[(4-sulfonatophenyl)carbamoylamino]phenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]benzoate.
Chemical Property Profile of Azo dye
Property Insights of Azo dye
The XLogP value of -4.42406 indicates that Azo dye is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 358.0 Ų indicates high polarity, suggesting Azo dye may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azo dye has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azo dye?
The CAS number of Azo dye is 97337-85-4.
What is the molecular formula of Azo dye?
The molecular formula of Azo dye is C45H38N9Na3O13S.
What is the molecular weight of Azo dye?
The molecular weight of Azo dye is 1013.20 g/mol.
Where can I buy Azo dye?
You can request a quote for Azo dye directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azo dye?
Yes, KEHONG BIO provides custom synthesis services for Azo dye and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.