RefChem:576435
TL;DR: RefChem:576435 (CAS 69391-11-3) is a chemical compound with molecular formula C33H23CrN10O11S-2 and molecular weight 819.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);5-(dioxidoamino)-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate;3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
Also Known As: Chromate(2-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, disodium, 4-Hydroxy-3-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)-5-nitrobenzenesulfonnic acid, 4-(2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-1-phenyl-1H-pyrazol-5-one, chromium(III) complex, disodium salt, Chromate(2-), (2,4-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulfonato(3-))-, disodium, Chromate(2-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium (1:2), Chromate(2-), [2,4-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulfonato(3-)]-, disodium
| Molecular Formula | C33H23CrN10O11S-2 |
|---|---|
| Molecular Weight | 819.07 g/mol |
| LogP | 3.35684 |
| Topological Polar Surface Area | 324.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 5 |
| Exact Mass | 819.0673 |
| Heavy Atoms | 56 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 69391-11-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-].CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])S(=O)(=O)[O-])C3=CC=CC=C3.[Cr+3] |
| InChIKey | XXZVXKVAXGFRDM-UHFFFAOYSA-K |
Product Overview
RefChem:576435 (CAS 69391-11-3), with molecular formula C33H23CrN10O11S-2 and molecular weight 819.07 g/mol. IUPAC: chromium(3+);5-(dioxidoamino)-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate;3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate.
Chemical Property Profile of RefChem:576435
Property Insights of RefChem:576435
The XLogP value of 3.35684 indicates that RefChem:576435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 324.0 Ų indicates high polarity, suggesting RefChem:576435 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576435 has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576435?
The CAS number of RefChem:576435 is 69391-11-3.
What is the molecular formula of RefChem:576435?
The molecular formula of RefChem:576435 is C33H23CrN10O11S-2.
What is the molecular weight of RefChem:576435?
The molecular weight of RefChem:576435 is 819.07 g/mol.
Where can I buy RefChem:576435?
You can request a quote for RefChem:576435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576435?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.