RefChem:789072
TL;DR: RefChem:789072 (CAS 71566-27-3) is a chemical compound with molecular formula C38H36CoN11O8 and molecular weight 833.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt(3+);cyclohexanamine;4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
Also Known As: Cobaltate(1-), bis(2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen, compd. with cyclohexanamine (1:1:1), Cobaltate(1-), bis(2,4-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen, compd. with cyclohexanamine (1:1), Cobaltate(1-), bis[2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-5-nitrophenyl]azo-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen, compd. with cyclohexanamine (1:1), Hydrogen bis(2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))cobaltate(1-), compound with cyclohexylamine (1:1), Hydrogen bis[2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]cobaltate(1-), compound with cyclohexylamine (1:1)
| Molecular Formula | C38H36CoN11O8 |
|---|---|
| Molecular Weight | 833.21 g/mol |
| LogP | 5.56582 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 833.208 |
| Heavy Atoms | 58 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 71566-27-3 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[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.C1CCC(CC1)N.[Co+3] |
| InChIKey | LJPFGABBDJSGJJ-UHFFFAOYSA-M |
Product Overview
RefChem:789072 (CAS 71566-27-3), with molecular formula C38H36CoN11O8 and molecular weight 833.21 g/mol. IUPAC: cobalt(3+);cyclohexanamine;4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate.
Chemical Property Profile of RefChem:789072
Property Insights of RefChem:789072
The XLogP value of 5.56582 indicates that RefChem:789072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 284.0 Ų indicates high polarity, suggesting RefChem:789072 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:789072 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:789072?
The CAS number of RefChem:789072 is 71566-27-3.
What is the molecular formula of RefChem:789072?
The molecular formula of RefChem:789072 is C38H36CoN11O8.
What is the molecular weight of RefChem:789072?
The molecular weight of RefChem:789072 is 833.21 g/mol.
Where can I buy RefChem:789072?
You can request a quote for RefChem:789072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:789072?
Yes, KEHONG BIO provides custom synthesis services for RefChem:789072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.