RefChem:578110
TL;DR: RefChem:578110 (CAS 68568-52-5) is a chemical compound with molecular formula C32H27CoN10O8S2 and molecular weight 802.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt(3+);hydron;bis(3-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-1-phenylpyrazol-5-olate)
Also Known As: Cobaltate(1-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulfonamidato(2-))-, hydrogen, Cobaltate(1-), bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzenesulfonamidato(2-)]-, hydrogen, Cobalt, bis(1-phenyl-3-methyl-4-(2-hydroxy-5-sulfamidophenylazo)-5-pyrazolone)-, Cobaltate(1-), bis(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, hydrogen (1:1), Hydrogen bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulphonamidato(2-))cobaltate(1-)
| Molecular Formula | C32H27CoN10O8S2 |
|---|---|
| Molecular Weight | 802.08 g/mol |
| LogP | 2.89144 |
| Topological Polar Surface Area | 314.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 802.0787 |
| Heavy Atoms | 53 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 68568-52-5 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=CC=C3.[Co+3] |
| InChIKey | IWRGMSIXYDXBME-UHFFFAOYSA-K |
Product Overview
RefChem:578110 (CAS 68568-52-5), with molecular formula C32H27CoN10O8S2 and molecular weight 802.08 g/mol. IUPAC: cobalt(3+);hydron;bis(3-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-1-phenylpyrazol-5-olate).
Chemical Property Profile of RefChem:578110
Property Insights of RefChem:578110
The XLogP value of 2.89144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:578110. The TPSA of 314.0 Ų indicates high polarity, suggesting RefChem:578110 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:578110 has 3 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:578110?
The CAS number of RefChem:578110 is 68568-52-5.
What is the molecular formula of RefChem:578110?
The molecular formula of RefChem:578110 is C32H27CoN10O8S2.
What is the molecular weight of RefChem:578110?
The molecular weight of RefChem:578110 is 802.08 g/mol.
Where can I buy RefChem:578110?
You can request a quote for RefChem:578110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:578110?
Yes, KEHONG BIO provides custom synthesis services for RefChem:578110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.