RefChem:576399
TL;DR: RefChem:576399 (CAS 72797-06-9) is a chemical compound with molecular formula C42H43CrN10O8 and molecular weight 867.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-olate;hydron
Also Known As: Chromate(1-), bis(4-((5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)azo-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen, Chromate(1-), bis(2,4-dihydro-4-((2-hydroxy-5-(2,2-dimethylpropyl)-3-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, hydrogen, Chromate(1-), bis(4-(2-(5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)diazenyl-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1), Chromate(1-), bis[4-[[5-(2,2-dimethylpropyl)-2-(hydroxy-.kappa.O)-3-nitrophenyl]azo-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen, Chromate(1-), bis[4-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-nitrophenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, hydrogen
| Molecular Formula | C42H43CrN10O8 |
|---|---|
| Molecular Weight | 867.27 g/mol |
| LogP | 7.68302 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 867.267 |
| Heavy Atoms | 61 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 72797-06-9 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)CC(C)(C)C)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])CC(C)(C)C)C3=CC=CC=C3.[Cr+3] |
| InChIKey | OARYXTPEYFGYTR-UHFFFAOYSA-M |
Product Overview
RefChem:576399 (CAS 72797-06-9), with molecular formula C42H43CrN10O8 and molecular weight 867.27 g/mol. IUPAC: chromium(3+);4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-olate;hydron.
Chemical Property Profile of RefChem:576399
Property Insights of RefChem:576399
The XLogP value of 7.68302 indicates that RefChem:576399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 258.0 Ų indicates high polarity, suggesting RefChem:576399 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576399 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576399?
The CAS number of RefChem:576399 is 72797-06-9.
What is the molecular formula of RefChem:576399?
The molecular formula of RefChem:576399 is C42H43CrN10O8.
What is the molecular weight of RefChem:576399?
The molecular weight of RefChem:576399 is 867.27 g/mol.
Where can I buy RefChem:576399?
You can request a quote for RefChem:576399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576399?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.