RefChem:579758
TL;DR: RefChem:579758 (CAS 68039-61-2) is a chemical compound with molecular formula C18H15CuN3O14S4 and molecular weight 687.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;5-amino-4-oxido-3-[[2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate;hydron
Also Known As: (5-Amino-4-hydroxy-3-((2-hydroxy-4-((2-sulfooxy)ethyl)sulfonyl)phenyl)azo)-2,7-naphthalenedisulfonato(2-))copper, Cuprate(3-), (5-amino-4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-2,7-naphthalenedisulfonato(5-))-, trihydrogen, Cuprate(3-), (5-amino-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3), copper(2+) hydrogen 5-amino-4-oxido-3-[(e)-(2-oxido-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate(1:3:1), Trihydrogen (5-amino-4-hydroxy-3-((2-hydroxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonato(5-))cuprate(3-)
| Molecular Formula | C18H15CuN3O14S4 |
|---|---|
| Molecular Weight | 687.87 g/mol |
| LogP | -0.62 |
| Topological Polar Surface Area | 345.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 687.8733 |
| Heavy Atoms | 40 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 68039-61-2 |
|---|---|
| SMILES | [H+].[H+].[H+].C1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)[O-])[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N)[O-].[Cu+2] |
| InChIKey | FZWXEYCIMUAQBQ-UHFFFAOYSA-L |
Product Overview
RefChem:579758 (CAS 68039-61-2), with molecular formula C18H15CuN3O14S4 and molecular weight 687.87 g/mol. IUPAC: copper;5-amino-4-oxido-3-[[2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate;hydron.
Chemical Property Profile of RefChem:579758
Property Insights of RefChem:579758
The XLogP value of -0.62 indicates that RefChem:579758 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 345.0 Ų indicates high polarity, suggesting RefChem:579758 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579758 has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579758?
The CAS number of RefChem:579758 is 68039-61-2.
What is the molecular formula of RefChem:579758?
The molecular formula of RefChem:579758 is C18H15CuN3O14S4.
What is the molecular weight of RefChem:579758?
The molecular weight of RefChem:579758 is 687.87 g/mol.
Where can I buy RefChem:579758?
You can request a quote for RefChem:579758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.