EINECS 229-268-9
TL;DR: EINECS 229-268-9 (CAS 6459-82-1) is a chemical compound with molecular formula C28H16N4Na4O12S2 and molecular weight 755.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;(3E)-3-[[4-[(E)-2-[4-[(2Z)-2-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
Also Known As: EINECS 229-268-9, C.I. Direct Yellow 72, tetrasodium salt, Tetrasodium 5,5'-(vinylenebis((3-sulphonato-4,1-phenylene)azo))bis(salicylate), Tetrasodium 5,5'-[vinylenebis[(3-sulphonato-4,1-phenylene)azo]]bis(salicylate), Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-, tetrasodium salt
| Molecular Formula | C28H16N4Na4O12S2 |
|---|---|
| Molecular Weight | 755.98 g/mol |
| LogP | -13.1526 |
| Topological Polar Surface Area | 277.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 755.9797 |
| Heavy Atoms | 50 |
| Complexity | 2007.3806 |
Chemical Identifiers
| CAS Number | 6459-82-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)[O-])S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)N/N=C\4/C=CC(=O)C(=C4)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
EINECS 229-268-9 (CAS 6459-82-1), with molecular formula C28H16N4Na4O12S2 and molecular weight 755.98 g/mol. IUPAC: tetrasodium;(3E)-3-[[4-[(E)-2-[4-[(2Z)-2-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate.
Chemical Property Profile of EINECS 229-268-9
Property Insights of EINECS 229-268-9
The XLogP value of -13.1526 indicates that EINECS 229-268-9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.58 Ų indicates high polarity, suggesting EINECS 229-268-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 229-268-9 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 229-268-9?
The CAS number of EINECS 229-268-9 is 6459-82-1.
What is the molecular formula of EINECS 229-268-9?
The molecular formula of EINECS 229-268-9 is C28H16N4Na4O12S2.
What is the molecular weight of EINECS 229-268-9?
The molecular weight of EINECS 229-268-9 is 755.98 g/mol.
Where can I buy EINECS 229-268-9?
You can request a quote for EINECS 229-268-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-268-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-268-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.