RefChem:789035
TL;DR: RefChem:789035 (CAS 52256-39-0) is a chemical compound with molecular formula C33H24CoN9O7 and molecular weight 717.11 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;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
Also Known As: Chromate(1-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(2-)-kappaO)-, hydrogen (1:1), Chromate(1-), (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(3-))-, hydrogen, Hydrogen (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-), Hydrogen [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoato(2-)]chromate(1-), Chromate(1-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)-, hydrogen
| Molecular Formula | C33H24CoN9O7 |
|---|---|
| Molecular Weight | 717.11 g/mol |
| LogP | 3.66972 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 717.11304 |
| Heavy Atoms | 50 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 52256-39-0 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=CC=C3.[Co+3] |
| InChIKey | CEMCJPUAZVHJGJ-UHFFFAOYSA-M |
Product Overview
RefChem:789035 (CAS 52256-39-0), with molecular formula C33H24CoN9O7 and molecular weight 717.11 g/mol. IUPAC: cobalt(3+);4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;hydron;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate.
Chemical Property Profile of RefChem:789035
Property Insights of RefChem:789035
The XLogP value of 3.66972 indicates that RefChem:789035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting RefChem:789035 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:789035 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:789035?
The CAS number of RefChem:789035 is 52256-39-0.
What is the molecular formula of RefChem:789035?
The molecular formula of RefChem:789035 is C33H24CoN9O7.
What is the molecular weight of RefChem:789035?
The molecular weight of RefChem:789035 is 717.11 g/mol.
Where can I buy RefChem:789035?
You can request a quote for RefChem:789035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:789035?
Yes, KEHONG BIO provides custom synthesis services for RefChem:789035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.