RefChem:599004
TL;DR: RefChem:599004 (CAS 72496-87-8) is a chemical compound with molecular formula C32H24FeN12NaO12S2 and molecular weight 911.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide;iron(3+);3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfamoylphenyl)pyrazol-5-olate
Also Known As: Ferrate(1-), bis(3-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, sodium, Ferrate(1-), bis(3-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, sodium (1:1), Ferrate(1-), bis[3-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, sodium, Ferrate(1-), bis[3-[4,5-dihydro-4-[[2-(hydroxy-.kappa.O)-5-nitrophenyl]azo-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, sodium, Sodium bis(3-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1-sulphonamidato(2-))ferrate(1-)
| Molecular Formula | C32H24FeN12NaO12S2 |
|---|---|
| Molecular Weight | 911.03 g/mol |
| LogP | -1.52568 |
| Topological Polar Surface Area | 395.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 7 |
| Exact Mass | 911.03253 |
| Heavy Atoms | 60 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 72496-87-8 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Na+].[Fe+3] |
| InChIKey | FUBYQDWLXFMQRI-UHFFFAOYSA-L |
Product Overview
RefChem:599004 (CAS 72496-87-8), with molecular formula C32H24FeN12NaO12S2 and molecular weight 911.03 g/mol. IUPAC: sodium;4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide;iron(3+);3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfamoylphenyl)pyrazol-5-olate.
Chemical Property Profile of RefChem:599004
Property Insights of RefChem:599004
The XLogP value of -1.52568 indicates that RefChem:599004 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 395.0 Ų indicates high polarity, suggesting RefChem:599004 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:599004 has 2 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:599004?
The CAS number of RefChem:599004 is 72496-87-8.
What is the molecular formula of RefChem:599004?
The molecular formula of RefChem:599004 is C32H24FeN12NaO12S2.
What is the molecular weight of RefChem:599004?
The molecular weight of RefChem:599004 is 911.03 g/mol.
Where can I buy RefChem:599004?
You can request a quote for RefChem:599004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:599004?
Yes, KEHONG BIO provides custom synthesis services for RefChem:599004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.