RefChem:579822
TL;DR: RefChem:579822 (CAS 68110-18-9) is a chemical compound with molecular formula C33H17Cu2N6Na3O14S3 and molecular weight 1011.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;trisodium;4-oxido-7-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-oxidophenyl)diazenyl]naphthalene-2-sulfonate
Also Known As: copper(2+) sodium 4-oxido-7-[({5-oxido-6-[(e)-(2-oxidophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl}carbamoyl)amino]-3-[(e)-(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate(2:3:1), Cuprate(3-), (mu-(4-(hydroxy-kappaO)-7-((((5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-2-naphthalenesulfonato(7-)))di-, sodium (1:3), Cuprate(3-), [.mu.-[4-(hydroxy-.kappa.O)-7-[[[[5-(hydroxy-.kappa.O)-6-[[2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[[2-(hydroxy-.kappa.O)-5-sulfophenyl]azo-.kappa.N1]-2-naphthalenesulfonato(7-)]]di-, trisodium, Cuprate(3-), (mu-(4-(hydroxy-kappaO)-7-((((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-2-naphthalenesulfonato(7-)))di-, trisodium, Cuprate(3-), [.mu.-[4-(hydroxy-.kappa.O)-7-[[[[5-(hydroxy-.kappa.O)-6-[2-[2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[2-[2-(hydroxy-.kappa.O)-5-sulfophenyl]diazenyl-.kappa.N1]-2-naphthalenesulfonato(7-)]]di-, sodium (1:3)
| Molecular Formula | C33H17Cu2N6Na3O14S3 |
|---|---|
| Molecular Weight | 1011.83 g/mol |
| LogP | -5.52 |
| Topological Polar Surface Area | 380.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 1011.825 |
| Heavy Atoms | 61 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 68110-18-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)[O-])N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | ZCMGUEHXFYXXQD-UHFFFAOYSA-G |
Product Overview
RefChem:579822 (CAS 68110-18-9), with molecular formula C33H17Cu2N6Na3O14S3 and molecular weight 1011.83 g/mol. IUPAC: dicopper;trisodium;4-oxido-7-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-oxidophenyl)diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of RefChem:579822
Property Insights of RefChem:579822
The XLogP value of -5.52 indicates that RefChem:579822 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 380.0 Ų indicates high polarity, suggesting RefChem:579822 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579822 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579822?
The CAS number of RefChem:579822 is 68110-18-9.
What is the molecular formula of RefChem:579822?
The molecular formula of RefChem:579822 is C33H17Cu2N6Na3O14S3.
What is the molecular weight of RefChem:579822?
The molecular weight of RefChem:579822 is 1011.83 g/mol.
Where can I buy RefChem:579822?
You can request a quote for RefChem:579822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579822?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.