4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid
TL;DR: 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid (CAS 93858-29-8) is a chemical compound with molecular formula C33H39ClN8O10S2 and molecular weight 806.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid
Also Known As: 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid, 1,3-Benzenedisulfonicacid,4-[2-[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-, 4-[(2E)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid, 4-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid, 4-[[[5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin]-3-yl]azo]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-benzenedisulfonic acid
| Molecular Formula | C33H39ClN8O10S2 |
|---|---|
| Molecular Weight | 806.19 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 806.1919 |
| Heavy Atoms | 54 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 93858-29-8 |
|---|---|
| SMILES | CCCCCCCCCC1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C(=C(N(C4=O)CC)O)C(=O)N)C)Cl |
| InChIKey | ZGMPQBIFFMHKNK-UHFFFAOYSA-N |
Product Overview
4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid (CAS 93858-29-8), with molecular formula C33H39ClN8O10S2 and molecular weight 806.19 g/mol. IUPAC: 4-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid.
Chemical Property Profile of 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid
Property Insights of 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid
The XLogP value of 7.0 indicates that 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 294.0 Ų indicates high polarity, suggesting 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid has 5 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 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid?
The CAS number of 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid is 93858-29-8.
What is the molecular formula of 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid?
The molecular formula of 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid is C33H39ClN8O10S2.
What is the molecular weight of 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid?
The molecular weight of 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid is 806.19 g/mol.
Where can I buy 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid?
You can request a quote for 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.