RefChem:599009
TL;DR: RefChem:599009 (CAS 72496-86-7) is a chemical compound with molecular formula C32H22FeN11Na2O13S2 and molecular weight 934.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide;iron(3+);4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate
Also Known As: Ferrate(2-), (3-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))(4-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))-, disodium, Ferrate(2-), (3-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamidato(2-))(4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonato(3-))-, disodium, Ferrate(2-), (3-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))-, sodium (1:2), Ferrate(2-), [3-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamidato(2-)][4-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, disodium, Ferrate(2-), [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-)][4-[4,5-dihydro-4-[[2-(hydroxy-.kappa.O)-5-nitrophenyl]azo-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, disodium
| Molecular Formula | C32H22FeN11Na2O13S2 |
|---|---|
| Molecular Weight | 934.00 g/mol |
| LogP | -4.26498 |
| Topological Polar Surface Area | 392.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 6 |
| Exact Mass | 933.9985 |
| Heavy Atoms | 61 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 72496-86-7 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Na+].[Na+].[Fe+3] |
| InChIKey | DGCQPNATKXFWGX-UHFFFAOYSA-K |
Product Overview
RefChem:599009 (CAS 72496-86-7), with molecular formula C32H22FeN11Na2O13S2 and molecular weight 934.00 g/mol. IUPAC: disodium;4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide;iron(3+);4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of RefChem:599009
Property Insights of RefChem:599009
The XLogP value of -4.26498 indicates that RefChem:599009 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 392.0 Ų indicates high polarity, suggesting RefChem:599009 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:599009 has 1 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:599009?
The CAS number of RefChem:599009 is 72496-86-7.
What is the molecular formula of RefChem:599009?
The molecular formula of RefChem:599009 is C32H22FeN11Na2O13S2.
What is the molecular weight of RefChem:599009?
The molecular weight of RefChem:599009 is 934.00 g/mol.
Where can I buy RefChem:599009?
You can request a quote for RefChem:599009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:599009?
Yes, KEHONG BIO provides custom synthesis services for RefChem:599009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.