RefChem:578112
TL;DR: RefChem:578112 (CAS 70281-40-2) is a chemical compound with molecular formula C36H34CoN10NaO8S2 and molecular weight 880.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;cobalt(3+);bis(3-methyl-1-(4-methylphenyl)-4-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]pyrazol-5-olate)
Also Known As: Cobaltate(1-), bis(3-((4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-N-methylbenzenesulfonamidato(2-))-, sodium, Cobaltate(1-), bis(3-(2-(4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-N-methylbenzenesulfonamidato(2-))-, sodium (1:1), Cobaltate(1-), bis[3-[[4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-N-methylbenzenesulfonamidato(2-)]-, sodium, Cobaltate(1-), bis(3-((4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-N-methylbenzenesulfonamidato(2-))-, sodium, Cobaltate(1-), bis[3-[[4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-N-methylbenzenesulfonamidato(2-)]-, sodium
| Molecular Formula | C36H34CoN10NaO8S2 |
|---|---|
| Molecular Weight | 880.12 g/mol |
| LogP | 0.92118 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 880.1232 |
| Heavy Atoms | 58 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 70281-40-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-])[O-].CC1=CC=C(C=C1)N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-])[O-].[Na+].[Co+3] |
| InChIKey | YSKDSLZJNXTHTP-UHFFFAOYSA-J |
Product Overview
RefChem:578112 (CAS 70281-40-2), with molecular formula C36H34CoN10NaO8S2 and molecular weight 880.12 g/mol. IUPAC: sodium;cobalt(3+);bis(3-methyl-1-(4-methylphenyl)-4-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]pyrazol-5-olate).
Chemical Property Profile of RefChem:578112
Property Insights of RefChem:578112
The XLogP value of 0.92118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:578112. The TPSA of 286.0 Ų indicates high polarity, suggesting RefChem:578112 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:578112 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:578112?
The CAS number of RefChem:578112 is 70281-40-2.
What is the molecular formula of RefChem:578112?
The molecular formula of RefChem:578112 is C36H34CoN10NaO8S2.
What is the molecular weight of RefChem:578112?
The molecular weight of RefChem:578112 is 880.12 g/mol.
Where can I buy RefChem:578112?
You can request a quote for RefChem:578112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:578112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:578112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.