2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid structure

2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid

TL;DR: 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid (CAS 114456-70-1) is a chemical compound with molecular formula C40H44N12O22S6 and molecular weight 1236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid

Also Known As: 2,2a(2)-[1,2-Ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis[1,4-benzenedisulfonic acid]

CAS: 114456-70-1
Molecular Formula C40H44N12O22S6
Molecular Weight 1236.10 g/mol
LogP -0.4
Topological Polar Surface Area 589.0 Ų
Hydrogen Bond Donors 14
Hydrogen Bond Acceptors 34
Rotatable Bonds 26
Exact Mass 1236.1017
Heavy Atoms 80
Complexity 2530.0

Chemical Identifiers

CAS Number 114456-70-1
SMILES C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChIKey IWCYXDKDGNKCFU-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Analytical Reagents (1 patents)

Product Overview

2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid (CAS 114456-70-1), with molecular formula C40H44N12O22S6 and molecular weight 1236.10 g/mol. IUPAC: 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid

XLogP
-0.4
TPSA (Topological Polar Surface Area)
589.0
Hydrogen Bond Donors
14
Hydrogen Bond Acceptors
34
Rotatable Bonds
26
Heavy Atoms
80
Complexity
2530.0
Exact Mass
1236.1017
Monoisotopic Mass
1236.1017
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid

The XLogP value of -0.4 indicates that 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 589.0 Ų indicates high polarity, suggesting 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid has 14 hydrogen bond donor(s) and 34 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid?

The CAS number of 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid is 114456-70-1.

What is the molecular formula of 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid?

The molecular formula of 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid is C40H44N12O22S6.

What is the molecular weight of 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid?

The molecular weight of 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid is 1236.10 g/mol.

Where can I buy 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid?

You can request a quote for 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid?

Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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