RefChem:564039
TL;DR: RefChem:564039 (CAS 72252-60-9) is a chemical compound with molecular formula C42H30N10Na4O14S4 and molecular weight 1118.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[[2-methyl-4-[[4-[3-methyl-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]anilino]-4-oxobut-2-enoyl]amino]phenyl]diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4), Benzenesulfonic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulfophenyl)azo]-, tetrasodium salt, Benzenesulfonic acid,2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-,sodium salt (1:4), Tetrasodium 2,2'-{(1,4-dioxobut-2-ene-1,4-diyl)bis[azanediyl(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis{5-[(4-sulfonatophenyl)diazenyl]benzene-1-sulfonate}, RefChem:564039
| Molecular Formula | C42H30N10Na4O14S4 |
|---|---|
| Molecular Weight | 1118.04 g/mol |
| LogP | -3.26916 |
| Topological Polar Surface Area | 419.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1118.0416 |
| Heavy Atoms | 74 |
| Complexity | 2180.0 |
Chemical Identifiers
| CAS Number | 72252-60-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C=CC(=O)NC2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=C(C=C(C=C5)N=NC6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | GDLMSXBTFNDZNS-UHFFFAOYSA-J |
Product Overview
RefChem:564039 (CAS 72252-60-9), with molecular formula C42H30N10Na4O14S4 and molecular weight 1118.04 g/mol. IUPAC: tetrasodium;2-[[2-methyl-4-[[4-[3-methyl-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]anilino]-4-oxobut-2-enoyl]amino]phenyl]diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate.
Chemical Property Profile of RefChem:564039
Property Insights of RefChem:564039
The XLogP value of -3.26916 indicates that RefChem:564039 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 419.0 Ų indicates high polarity, suggesting RefChem:564039 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564039 has 2 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 RefChem:564039?
The CAS number of RefChem:564039 is 72252-60-9.
What is the molecular formula of RefChem:564039?
The molecular formula of RefChem:564039 is C42H30N10Na4O14S4.
What is the molecular weight of RefChem:564039?
The molecular weight of RefChem:564039 is 1118.04 g/mol.
Where can I buy RefChem:564039?
You can request a quote for RefChem:564039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564039?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.