1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt
TL;DR: 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt (CAS 71257-86-8) is a chemical compound with molecular formula C27H19ClN7Na3O10S3 and molecular weight 800.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[[6-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-5-methylbenzene-1,4-disulfonate
Also Known As: 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt, 1,4-Benzenedisulfonic acid, 2-(2-(6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-5-methyl-, sodium salt (1:3), 1,4-Benzenedisulfonic acid, 2-[[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-5-methyl-, trisodium salt, 1,4-Benzenedisulfonic acid, 2-[2-[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-5-methyl-, sodium salt (1:3), 1,4-Benzenedisulfonicacid,2-[2-[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-5-methyl-,sodium salt (1:3)
| Molecular Formula | C27H19ClN7Na3O10S3 |
|---|---|
| Molecular Weight | 800.97 g/mol |
| LogP | -4.65658 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 800.9737 |
| Heavy Atoms | 51 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 71257-86-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=NC(=NC(=N4)Cl)N(C)C5=CC=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | ZPWPJMWIZFCCCJ-UHFFFAOYSA-K |
Product Overview
1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt (CAS 71257-86-8), with molecular formula C27H19ClN7Na3O10S3 and molecular weight 800.97 g/mol. IUPAC: trisodium;2-[[6-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-5-methylbenzene-1,4-disulfonate.
Chemical Property Profile of 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt
Property Insights of 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt
The XLogP value of -4.65658 indicates that 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt has 2 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 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
The CAS number of 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt is 71257-86-8.
What is the molecular formula of 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
The molecular formula of 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt is C27H19ClN7Na3O10S3.
What is the molecular weight of 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
The molecular weight of 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt is 800.97 g/mol.
Where can I buy 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
You can request a quote for 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedisulfonic acid, 2-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.