RefChem:579825
TL;DR: RefChem:579825 (CAS 72906-63-9) is a chemical compound with molecular formula C32H15Cu2Li3N4O13S3 and molecular weight 905.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;trilithium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, lithium (1:3), Cuprate(3-), [.mu.-[4-[[3,3'-di(hydroxy-.kappa.O)-4'-[[2-(hydroxy-.kappa.O)-6-sulfo-1-naphthalenyl]azo-.kappa.N1][1,1'-biphenyl]-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, trilithium, Cuprate(3-), (mu-(4-((3,3'-di(hydroxy-kappaO)-4'-((2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, trilithium, Cuprate(3-), [.mu.-[4-[[3,3'-dihydroxy-4'-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-3-hydroxy-2,7-naphthalenedisulfonato(7-)]]di-, trilithium, Cuprate(3-), [.mu.-[4-[2-[3,3'-di(hydroxy-.kappa.O)-4'-[2-[2-(hydroxy-.kappa.O)-6-sulfo-1-naphthalenyl]diazenyl-.kappa.N1][1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, lithium (1:3)
| Molecular Formula | C32H15Cu2Li3N4O13S3 |
|---|---|
| Molecular Weight | 905.89 g/mol |
| LogP | -5.4955 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Exact Mass | 905.88696 |
| Heavy Atoms | 57 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 72906-63-9 |
|---|---|
| SMILES | [Li+].[Li+].[Li+].C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)[O-])[O-].[Cu+2].[Cu+2] |
| InChIKey | BERXHMVEBURKAD-UHFFFAOYSA-G |
Product Overview
RefChem:579825 (CAS 72906-63-9), with molecular formula C32H15Cu2Li3N4O13S3 and molecular weight 905.89 g/mol. IUPAC: dicopper;trilithium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:579825
Property Insights of RefChem:579825
The XLogP value of -5.4955 indicates that RefChem:579825 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 338.0 Ų indicates high polarity, suggesting RefChem:579825 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579825 has 0 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:579825?
The CAS number of RefChem:579825 is 72906-63-9.
What is the molecular formula of RefChem:579825?
The molecular formula of RefChem:579825 is C32H15Cu2Li3N4O13S3.
What is the molecular weight of RefChem:579825?
The molecular weight of RefChem:579825 is 905.89 g/mol.
Where can I buy RefChem:579825?
You can request a quote for RefChem:579825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579825?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.