RefChem:578018
TL;DR: RefChem:578018 (CAS 55668-56-9) is a chemical compound with molecular formula C32H21CoN8O8 and molecular weight 704.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt(3+);1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
Also Known As: Cobaltate(1-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(1-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-2-naphthalenolato(2-)-kappaO)-, hydrogen, Cobaltate(1-), (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(1-((2-hydroxy-4-nitrophenyl)azo)-2-naphthalenolato)-, hydrogen, Cobaltate(1-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(1-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-2-naphthalenolato(2-)-kappaO)-, hydrogen (1:1), Cobaltate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen, Cobaltate(1-), [2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-5-nitrophenyl]azo-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3][1-[[2-(hydroxy-.kappa.O)-4-nitrophenyl]azo-.kappa.N1]-2-naphthalenolato(2-)-.kappa.O]-, hydrogen
| Molecular Formula | C32H21CoN8O8 |
|---|---|
| Molecular Weight | 704.08 g/mol |
| LogP | 4.50952 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 704.0814 |
| Heavy Atoms | 49 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 55668-56-9 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=CC(=CC3=O)N([O-])[O-].[Co+3] |
| InChIKey | PRUZTGFHEUUEMK-UHFFFAOYSA-M |
Product Overview
RefChem:578018 (CAS 55668-56-9), with molecular formula C32H21CoN8O8 and molecular weight 704.08 g/mol. IUPAC: cobalt(3+);1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate.
Chemical Property Profile of RefChem:578018
Property Insights of RefChem:578018
The XLogP value of 4.50952 indicates that RefChem:578018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.0 Ų indicates high polarity, suggesting RefChem:578018 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:578018 has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:578018?
The CAS number of RefChem:578018 is 55668-56-9.
What is the molecular formula of RefChem:578018?
The molecular formula of RefChem:578018 is C32H21CoN8O8.
What is the molecular weight of RefChem:578018?
The molecular weight of RefChem:578018 is 704.08 g/mol.
Where can I buy RefChem:578018?
You can request a quote for RefChem:578018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:578018?
Yes, KEHONG BIO provides custom synthesis services for RefChem:578018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.