RefChem:578020
TL;DR: RefChem:578020 (CAS 52277-73-3) 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+);4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;hydron;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-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)-5-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-5-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)-5-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-5-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen, Hydrogen (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(1-((2-hydroxy-5-nitrophenyl)azo)-2-naphtholato(2-))cobaltate(1-)
| Molecular Formula | C32H21CoN8O8 |
|---|---|
| Molecular Weight | 704.08 g/mol |
| LogP | 4.9471 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 704.0814 |
| Heavy Atoms | 49 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 52277-73-3 |
|---|---|
| SMILES | [H+].CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])[O-].[Co+3] |
| InChIKey | BRHKWDGAYGZFDE-UHFFFAOYSA-M |
Product Overview
RefChem:578020 (CAS 52277-73-3), with molecular formula C32H21CoN8O8 and molecular weight 704.08 g/mol. IUPAC: cobalt(3+);4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;hydron;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate.
Chemical Property Profile of RefChem:578020
Property Insights of RefChem:578020
The XLogP value of 4.9471 indicates that RefChem:578020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 240.0 Ų indicates high polarity, suggesting RefChem:578020 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:578020 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:578020?
The CAS number of RefChem:578020 is 52277-73-3.
What is the molecular formula of RefChem:578020?
The molecular formula of RefChem:578020 is C32H21CoN8O8.
What is the molecular weight of RefChem:578020?
The molecular weight of RefChem:578020 is 704.08 g/mol.
Where can I buy RefChem:578020?
You can request a quote for RefChem:578020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:578020?
Yes, KEHONG BIO provides custom synthesis services for RefChem:578020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.