![2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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](/static/products/4450/445016-59-1.webp)
2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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 445016-59-1) is a chemical compound with molecular formula C44H52N12O22S6 and molecular weight 1292.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis[1,4-benzenedisulfonic acid]
| Molecular Formula | C44H52N12O22S6 |
|---|---|
| Molecular Weight | 1292.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 589.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 34 |
| Rotatable Bonds | 26 |
| Exact Mass | 1292.1643 |
| Heavy Atoms | 84 |
| Complexity | 2670.0 |
Chemical Identifiers
| CAS Number | 445016-59-1 |
|---|---|
| SMILES | CC(CN(CC(C)O)C1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CC(C)O)CC(C)O)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | GGZZBXBLEDKGIP-UHFFFAOYSA-N |
Product Overview
2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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 445016-59-1), with molecular formula C44H52N12O22S6 and molecular weight 1292.16 g/mol. IUPAC: 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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.
Chemical Property Profile of 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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
Property Insights of 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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 TPSA of 589.0 Ų indicates high polarity, suggesting 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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
Frequently Asked Questions
What is the CAS number of 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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 445016-59-1.
What is the molecular formula of 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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 C44H52N12O22S6.
What is the molecular weight of 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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 1292.16 g/mol.
Where can I buy 2-[[4-[bis(2-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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-hydroxypropyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxypropyl)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.