C31H21CuN8O8S.Na
TL;DR: C31H21CuN8O8S.Na (CAS 85959-71-3) is a chemical compound with molecular formula C31H21CuN8NaO8S and molecular weight 751.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;sodium;3-[(2Z)-2-[(5E)-5-[[4-[[4-[(2-amino-4-oxidophenyl)diazenyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-4-oxidobenzenesulfonate
Also Known As: EINECS 289-066-1, Cuprate(1-), [3-[[3-[[4-[[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-2-(hydroxy-.kappa.O)-4-hydroxyphenyl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonato(3-)]-, sodium, Cuprate(1-), (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonato(3-))-, sodium, Cuprate(1-), (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-(hydroxy-kappaO)-4-hydroxyphenyl)azo-kappaN1)-4-(hydroxy-kappaO)benzenesulfonato(3-))-, sodium, Cuprate(1-), (3-(2-(3-(2-(4-(((4-(2-(2-amino-4-hydroxyphenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-(hydroxy-kappaO)-4-hydroxyphenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)benzenesulfonato(3-))-, sodium (1:1)
| Molecular Formula | C31H21CuN8NaO8S |
|---|---|
| Molecular Weight | 751.04 g/mol |
| LogP | -1.5591 |
| Topological Polar Surface Area | 266.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 751.0397 |
| Heavy Atoms | 50 |
| Complexity | 2404.2415 |
Chemical Identifiers
| CAS Number | 85959-71-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[O-])N)N/N=C/4\C(=O)C=C/C(=N/NC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])/C4=O.[Na+].[Cu+2] |
Product Overview
C31H21CuN8O8S.Na (CAS 85959-71-3), with molecular formula C31H21CuN8NaO8S and molecular weight 751.04 g/mol. IUPAC: copper;sodium;3-[(2Z)-2-[(5E)-5-[[4-[[4-[(2-amino-4-oxidophenyl)diazenyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-4-oxidobenzenesulfonate.
Chemical Property Profile of C31H21CuN8O8S.Na
Property Insights of C31H21CuN8O8S.Na
The XLogP value of -1.5591 indicates that C31H21CuN8O8S.Na is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.08 Ų indicates high polarity, suggesting C31H21CuN8O8S.Na may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C31H21CuN8O8S.Na has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H21CuN8O8S.Na?
The CAS number of C31H21CuN8O8S.Na is 85959-71-3.
What is the molecular formula of C31H21CuN8O8S.Na?
The molecular formula of C31H21CuN8O8S.Na is C31H21CuN8NaO8S.
What is the molecular weight of C31H21CuN8O8S.Na?
The molecular weight of C31H21CuN8O8S.Na is 751.04 g/mol.
Where can I buy C31H21CuN8O8S.Na?
You can request a quote for C31H21CuN8O8S.Na directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H21CuN8O8S.Na?
Yes, KEHONG BIO provides custom synthesis services for C31H21CuN8O8S.Na and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.