EINECS 274-978-4
TL;DR: EINECS 274-978-4 (CAS 70880-04-5) is a chemical compound with molecular formula C40H40Li2N12Na2O16S4 and molecular weight 1132.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dilithium;disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: EINECS 274-978-4, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, lithium sodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, lithium sodium salt (1:?:?), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(4-(sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, lithium, sodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, lithium sodium salt
| Molecular Formula | C40H40Li2N12Na2O16S4 |
|---|---|
| Molecular Weight | 1132.17 g/mol |
| LogP | -11.5842 |
| Topological Polar Surface Area | 441.66 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 24 |
| Exact Mass | 1132.1683 |
| Heavy Atoms | 76 |
| Complexity | 3185.6663 |
Chemical Identifiers
| CAS Number | 70880-04-5 |
|---|---|
| SMILES | [Li+].[Li+].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 274-978-4 (CAS 70880-04-5), with molecular formula C40H40Li2N12Na2O16S4 and molecular weight 1132.17 g/mol. IUPAC: dilithium;disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of EINECS 274-978-4
Property Insights of EINECS 274-978-4
The XLogP value of -11.5842 indicates that EINECS 274-978-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 441.66 Ų indicates high polarity, suggesting EINECS 274-978-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 274-978-4 has 8 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 274-978-4?
The CAS number of EINECS 274-978-4 is 70880-04-5.
What is the molecular formula of EINECS 274-978-4?
The molecular formula of EINECS 274-978-4 is C40H40Li2N12Na2O16S4.
What is the molecular weight of EINECS 274-978-4?
The molecular weight of EINECS 274-978-4 is 1132.17 g/mol.
Where can I buy EINECS 274-978-4?
You can request a quote for EINECS 274-978-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-978-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-978-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.