Einecs 262-780-0
TL;DR: Einecs 262-780-0 (CAS 61417-71-8) is a chemical compound with molecular formula C40H42N12Na2O16S4 and molecular weight 1120.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzenesulfonate
Also Known As: EINECS 262-780-0, Disodium hydrogen 4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-((4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate, disodium 4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzenesulfonate, Disodium hydrogen 4,4-bis((4-(bis(2-hydroxyethyl)amino)-6-((4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2-disulphonate
| Molecular Formula | C40H42N12Na2O16S4 |
|---|---|
| Molecular Weight | 1120.15 g/mol |
| LogP | -4.907 |
| Topological Polar Surface Area | 436.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Exact Mass | 1120.152 |
| Heavy Atoms | 74 |
| Complexity | 3172.3235 |
Chemical Identifiers
| CAS Number | 61417-71-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
Einecs 262-780-0 (CAS 61417-71-8), with molecular formula C40H42N12Na2O16S4 and molecular weight 1120.15 g/mol. IUPAC: disodium;4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzenesulfonate.
Chemical Property Profile of Einecs 262-780-0
Property Insights of Einecs 262-780-0
The XLogP value of -4.907 indicates that Einecs 262-780-0 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 436.0 Ų indicates high polarity, suggesting Einecs 262-780-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 262-780-0 has 10 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 262-780-0?
The CAS number of Einecs 262-780-0 is 61417-71-8.
What is the molecular formula of Einecs 262-780-0?
The molecular formula of Einecs 262-780-0 is C40H42N12Na2O16S4.
What is the molecular weight of Einecs 262-780-0?
The molecular weight of Einecs 262-780-0 is 1120.15 g/mol.
Where can I buy Einecs 262-780-0?
You can request a quote for Einecs 262-780-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 262-780-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 262-780-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.