EINECS 268-980-4
TL;DR: EINECS 268-980-4 (CAS 85187-73-1) is a chemical compound with molecular formula C32H20Cl2K2N10Na2O12S4 and molecular weight 1057.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;disodium;5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: EINECS 268-980-4, EINECS 286-160-4, 4,4'-Bis((4-chloro-6-((4-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, potassium sodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, dipotassium disodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, potassium sodium salt (1:2:2)
| Molecular Formula | C32H20Cl2K2N10Na2O12S4 |
|---|---|
| Molecular Weight | 1057.86 g/mol |
| LogP | -7.8594 |
| Topological Polar Surface Area | 354.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 1057.8591 |
| Heavy Atoms | 64 |
| Complexity | 2944.4915 |
Chemical Identifiers
| CAS Number | 85187-73-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)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-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[K+].[K+] |
Product Overview
EINECS 268-980-4 (CAS 85187-73-1), with molecular formula C32H20Cl2K2N10Na2O12S4 and molecular weight 1057.86 g/mol. IUPAC: dipotassium;disodium;5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of EINECS 268-980-4
Property Insights of EINECS 268-980-4
The XLogP value of -7.8594 indicates that EINECS 268-980-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 354.26 Ų indicates high polarity, suggesting EINECS 268-980-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 268-980-4 has 4 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 268-980-4?
The CAS number of EINECS 268-980-4 is 85187-73-1.
What is the molecular formula of EINECS 268-980-4?
The molecular formula of EINECS 268-980-4 is C32H20Cl2K2N10Na2O12S4.
What is the molecular weight of EINECS 268-980-4?
The molecular weight of EINECS 268-980-4 is 1057.86 g/mol.
Where can I buy EINECS 268-980-4?
You can request a quote for EINECS 268-980-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-980-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-980-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.