C33H22CuN6O9S.2Na
TL;DR: C33H22CuN6O9S.2Na (CAS 66225-65-8) is a chemical compound with molecular formula C33H22CuN6Na2O9S and molecular weight 787.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;disodium;5-[[2-methyl-4-[3-methyl-4-[2-[5-[(2-oxido-5-sulfonatophenyl)hydrazinylidene]-2,6-dioxocyclohex-3-en-1-ylidene]hydrazinyl]phenyl]phenyl]diazenyl]-2-oxidobenzoate
Also Known As: Cuprate(2-), (5-((4'-((2,6-dihydroxy-3-((2-hydroxy-5-sulfophenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxybenzoato(4-))-, disodium, Cuprate(2-), (5-((4'-((2-(hydroxy-kappaO)-6-hydroxy-3-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxybenzoato(4-))-, disodium, Cuprate(2-), (5-(2-(4'-(2-(2-(hydroxy-kappaO)-6-hydroxy-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)phenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxybenzoato(4-))-, sodium (1:2), Cuprate(2-), [5-[[4'-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium, Cuprate(2-), [5-[[4'-[[2-(hydroxy-.kappa.O)-6-hydroxy-3-[[2-(hydroxy-.kappa.O)-5-sulfophenyl]azo-.kappa.N1]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium
| Molecular Formula | C33H22CuN6Na2O9S |
|---|---|
| Molecular Weight | 787.03 g/mol |
| LogP | -4.74 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 787.02606 |
| Heavy Atoms | 52 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 66225-65-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])C)NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2] |
| InChIKey | LKGRLNSQRJIKJJ-UHFFFAOYSA-J |
Product Overview
C33H22CuN6O9S.2Na (CAS 66225-65-8), with molecular formula C33H22CuN6Na2O9S and molecular weight 787.03 g/mol. IUPAC: copper;disodium;5-[[2-methyl-4-[3-methyl-4-[2-[5-[(2-oxido-5-sulfonatophenyl)hydrazinylidene]-2,6-dioxocyclohex-3-en-1-ylidene]hydrazinyl]phenyl]phenyl]diazenyl]-2-oxidobenzoate.
Chemical Property Profile of C33H22CuN6O9S.2Na
Property Insights of C33H22CuN6O9S.2Na
The XLogP value of -4.74 indicates that C33H22CuN6O9S.2Na is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting C33H22CuN6O9S.2Na may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C33H22CuN6O9S.2Na has 2 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 C33H22CuN6O9S.2Na?
The CAS number of C33H22CuN6O9S.2Na is 66225-65-8.
What is the molecular formula of C33H22CuN6O9S.2Na?
The molecular formula of C33H22CuN6O9S.2Na is C33H22CuN6Na2O9S.
What is the molecular weight of C33H22CuN6O9S.2Na?
The molecular weight of C33H22CuN6O9S.2Na is 787.03 g/mol.
Where can I buy C33H22CuN6O9S.2Na?
You can request a quote for C33H22CuN6O9S.2Na directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H22CuN6O9S.2Na?
Yes, KEHONG BIO provides custom synthesis services for C33H22CuN6O9S.2Na and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.