RefChem:579818
TL;DR: RefChem:579818 (CAS 28566-83-8) is a chemical compound with molecular formula C16H11CuN3O11S3 and molecular weight 579.89 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-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;hydron
Also Known As: Cuprate(3-), (5-amino-4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-2,7-naphthalenedisulfonato(5-))-, trihydrogen, Cuprate(3-), (5-amino-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3), Cuprate(3-), [5-amino-4-(hydroxy-.kappa.O)-3-[[2-(hydroxy-.kappa.O)-5-sulfophenyl]azo-.kappa.N1]-2,7-naphthalenedisulfonato(5-)]-, trihydrogen, copper; 5-amino-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate; hydron, Cuprate(3-), [5-amino-4-(hydroxy-.kappa.O)-3-[2-[2-(hydroxy-.kappa.O)-5-sulfophenyl]diazenyl-.kappa.N1]-2,7-naphthalenedisulfonato(5-)]-, hydrogen (1:3)
| Molecular Formula | C16H11CuN3O11S3 |
|---|---|
| Molecular Weight | 579.89 g/mol |
| LogP | 0.0319 |
| Topological Polar Surface Area | 268.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 579.8852 |
| Heavy Atoms | 34 |
| Complexity | 1684.5205 |
Chemical Identifiers
| CAS Number | 28566-83-8 |
|---|---|
| SMILES | [H+].[H+].[H+].C1=CC(=C(C=C1S(=O)(=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N)[O-])[O-].[Cu+2] |
Product Overview
RefChem:579818 (CAS 28566-83-8), with molecular formula C16H11CuN3O11S3 and molecular weight 579.89 g/mol. IUPAC: copper;5-amino-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;hydron.
Chemical Property Profile of RefChem:579818
Property Insights of RefChem:579818
The XLogP value of 0.0319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:579818. The TPSA of 268.46 Ų indicates high polarity, suggesting RefChem:579818 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579818 has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579818?
The CAS number of RefChem:579818 is 28566-83-8.
What is the molecular formula of RefChem:579818?
The molecular formula of RefChem:579818 is C16H11CuN3O11S3.
What is the molecular weight of RefChem:579818?
The molecular weight of RefChem:579818 is 579.89 g/mol.
Where can I buy RefChem:579818?
You can request a quote for RefChem:579818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579818?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.