RefChem:579978
TL;DR: RefChem:579978 (CAS 67952-80-1) is a chemical compound with molecular formula C34H18Cu2N6Na4O17S4 and molecular weight 1127.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;tetrasodium;3-[[4-[4-[(8-acetamido-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-5-amino-4-oxidonaphthalene-2,7-disulfonate
Also Known As: Cuprate(4-), (mu-(5-(acetylamino)-3-(2-(4'-(2-(8-amino-1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)diazenyl-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, sodium (1:4), copper(2+) sodium 5-(acetylamino)-3-[(e)-{4'-[(e)-(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3,3'-dioxidobiphenyl-4-yl}diazenyl]-4-oxidonaphthalene-2,7-disulfonate(2:4:1), Cuprate(4-), (mu-(5-(acetylamino)-3-((4'-((8-amino-1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)azo-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium, Cuprate(4-), (mu-(5-(acetylamino)-3-((4'-((8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium, Cuprate(4-), [.mu.-[5-(acetylamino)-3-[2-[4'-[2-[8-amino-1-(hydroxy-.kappa.O)-3,6-disulfo-2-naphthalenyl]diazenyl-.kappa.N1]-3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(8-)]]di-, sodium (1:4)
| Molecular Formula | C34H18Cu2N6Na4O17S4 |
|---|---|
| Molecular Weight | 1127.78 g/mol |
| LogP | -10.05 |
| Topological Polar Surface Area | 459.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 6 |
| Exact Mass | 1127.7794 |
| Heavy Atoms | 67 |
| Complexity | 2060.0 |
Chemical Identifiers
| CAS Number | 67952-80-1 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | NKTBMIPZWFYARB-UHFFFAOYSA-F |
Product Overview
RefChem:579978 (CAS 67952-80-1), with molecular formula C34H18Cu2N6Na4O17S4 and molecular weight 1127.78 g/mol. IUPAC: dicopper;tetrasodium;3-[[4-[4-[(8-acetamido-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-5-amino-4-oxidonaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:579978
Property Insights of RefChem:579978
The XLogP value of -10.05 indicates that RefChem:579978 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 459.0 Ų indicates high polarity, suggesting RefChem:579978 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579978 has 2 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579978?
The CAS number of RefChem:579978 is 67952-80-1.
What is the molecular formula of RefChem:579978?
The molecular formula of RefChem:579978 is C34H18Cu2N6Na4O17S4.
What is the molecular weight of RefChem:579978?
The molecular weight of RefChem:579978 is 1127.78 g/mol.
Where can I buy RefChem:579978?
You can request a quote for RefChem:579978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579978?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.