1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt
TL;DR: 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt (CAS 53499-88-0) is a chemical compound with molecular formula C52H60N14Na6O20S6 and molecular weight 1530.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;2-[4-[(3-amino-3-oxopropyl)-[3-(diethylamino)propyl]amino]-6-[4-[(E)-2-[4-[[4-[(3-amino-3-oxopropyl)-[3-(diethylamino)propyl]amino]-6-(2,5-disulfonatophenyl)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]benzene-1,4-disulfonate
Also Known As: 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt, 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-amino-3-oxopropyl)(3-(diethylamino)propyl)amino)-1,3,5-triazine-4,2-diyl)))bis-, hexasodium salt, 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-amino-3-oxopropyl)(3-(diethylamino)propyl)amino)-1,3,5-triazine-4,2-diyl)))bis-, sodium salt (1:6), 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[(3-amino-3-oxopropyl)[3-(diethylamino)propyl]amino]-1,3,5-triazine-4,2-diyl]]]bis-, hexasodium salt, hexasodium 2-[4-[(3-amino-3-oxopropyl)-[3-(diethylamino)propyl]amino]-6-[4-[(E)-2-[4-[[4-[(3-amino-3-oxopropyl)-[3-(diethylamino)propyl]amino]-6-(2,5-disulfonatophenyl)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]benzene-1,4-disulfonate
| Molecular Formula | C52H60N14Na6O20S6 |
|---|---|
| Molecular Weight | 1530.18 g/mol |
| LogP | -16.6758 |
| Topological Polar Surface Area | 543.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 34 |
| Exact Mass | 1530.1819 |
| Heavy Atoms | 98 |
| Complexity | 4234.774 |
Chemical Identifiers
| CAS Number | 53499-88-0 |
|---|---|
| SMILES | CCN(CC)CCCN(CCC(=O)N)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)C5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])N(CCCN(CC)CC)CCC(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
Product Overview
1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt (CAS 53499-88-0), with molecular formula C52H60N14Na6O20S6 and molecular weight 1530.18 g/mol. IUPAC: hexasodium;2-[4-[(3-amino-3-oxopropyl)-[3-(diethylamino)propyl]amino]-6-[4-[(E)-2-[4-[[4-[(3-amino-3-oxopropyl)-[3-(diethylamino)propyl]amino]-6-(2,5-disulfonatophenyl)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]benzene-1,4-disulfonate.
Chemical Property Profile of 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt
Property Insights of 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt
The XLogP value of -16.6758 indicates that 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 543.74 Ų indicates high polarity, suggesting 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt has 4 hydrogen bond donor(s) and 32 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, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt?
The CAS number of 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt is 53499-88-0.
What is the molecular formula of 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt?
The molecular formula of 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt is C52H60N14Na6O20S6.
What is the molecular weight of 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt?
The molecular weight of 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt is 1530.18 g/mol.
Where can I buy 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt?
You can request a quote for 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium 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, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-s-triazin-4,2-diyl)bis(imino))bis-, hexasodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.