RefChem:578054
TL;DR: RefChem:578054 (CAS 70236-44-1) is a chemical compound with molecular formula C34H26Cl2CoN8NaO8S2 and molecular weight 889.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;bis(1-(4-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);cobalt(3+)
Also Known As: Cobaltate(1-), bis(2-(3-chlorophenyl)-2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)-, sodium (1:1), Cobaltate(1-), bis(2-(3-chlorophenyl)-2,4-dihydro-4-((2-hydroxy-5-(methylsulfonyl)phenyl)azo)-5-methyl-3H-pyrazol-3-onato(2-))-, sodium, Cobaltate(1-), bis(2-(3-chlorophenyl)-2,4-dihydro-4-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)-, sodium, Cobaltate(1-), bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-5-(methylsulfonyl)phenyl]azo-.kappa.N1]-5-methyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, sodium, Cobaltate(1-), bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulfonyl)phenyl]azo]-5-methyl-3H-pyrazol-3-onato(2-)]-, sodium
| Molecular Formula | C34H26Cl2CoN8NaO8S2 |
|---|---|
| Molecular Weight | 889.99 g/mol |
| LogP | 2.60194 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 889.9922 |
| Heavy Atoms | 56 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 70236-44-1 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC=C(C=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC=C(C=C3)Cl.[Na+].[Co+3] |
| InChIKey | QWRMHTWSOXIKFD-UHFFFAOYSA-J |
Product Overview
RefChem:578054 (CAS 70236-44-1), with molecular formula C34H26Cl2CoN8NaO8S2 and molecular weight 889.99 g/mol. IUPAC: sodium;bis(1-(4-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);cobalt(3+).
Chemical Property Profile of RefChem:578054
Property Insights of RefChem:578054
The XLogP value of 2.60194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:578054. The TPSA of 262.0 Ų indicates high polarity, suggesting RefChem:578054 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:578054 has 0 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:578054?
The CAS number of RefChem:578054 is 70236-44-1.
What is the molecular formula of RefChem:578054?
The molecular formula of RefChem:578054 is C34H26Cl2CoN8NaO8S2.
What is the molecular weight of RefChem:578054?
The molecular weight of RefChem:578054 is 889.99 g/mol.
Where can I buy RefChem:578054?
You can request a quote for RefChem:578054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:578054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:578054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.