RefChem:565681
TL;DR: RefChem:565681 (CAS 53523-90-3) is a chemical compound with molecular formula C30H20Li4N4O12S2 and molecular weight 720.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetralithium;5-[[4-[2-[4-[(2-carboxylato-4-hydroxy-6-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-2-hydroxy-3-methylbenzoate
Also Known As: Benzoic acid, 3,3'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)azo))bis(6-hydroxy-5-methyl-, tetralithium salt, Tetralithium 5,5'-(vinylenebis((3-sulphonato-4,1-phenylene)azo))bis(3-methylsalicylate), Benzoic acid, 3,3'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)-2,1-diazenediyl))bis(6-hydroxy-5-methyl-, lithium salt (1:4), Tetralithium 5,5'-[vinylenebis[(3-sulphonato-4,1-phenylene)azo]]bis[3-methylsalicylate], 258-605-2
| Molecular Formula | C30H20Li4N4O12S2 |
|---|---|
| Molecular Weight | 720.12 g/mol |
| LogP | -8.73 |
| Topological Polar Surface Area | 301.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 720.1159 |
| Heavy Atoms | 52 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 53523-90-3 |
|---|---|
| SMILES | [Li+].[Li+].[Li+].[Li+].CC1=CC(=CC(=C1O)C(=O)[O-])N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=C(C=C(C=C4C)O)C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-] |
| InChIKey | JVMCOVLSSFCDRA-UHFFFAOYSA-J |
Product Overview
RefChem:565681 (CAS 53523-90-3), with molecular formula C30H20Li4N4O12S2 and molecular weight 720.12 g/mol. IUPAC: tetralithium;5-[[4-[2-[4-[(2-carboxylato-4-hydroxy-6-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-2-hydroxy-3-methylbenzoate.
Chemical Property Profile of RefChem:565681
Property Insights of RefChem:565681
The XLogP value of -8.73 indicates that RefChem:565681 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 301.0 Ų indicates high polarity, suggesting RefChem:565681 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565681 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 RefChem:565681?
The CAS number of RefChem:565681 is 53523-90-3.
What is the molecular formula of RefChem:565681?
The molecular formula of RefChem:565681 is C30H20Li4N4O12S2.
What is the molecular weight of RefChem:565681?
The molecular weight of RefChem:565681 is 720.12 g/mol.
Where can I buy RefChem:565681?
You can request a quote for RefChem:565681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565681?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.