RefChem:579925
TL;DR: RefChem:579925 (CAS 72939-55-0) is a chemical compound with molecular formula C32H14Cu2N4Na4O16S4 and molecular weight 1055.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;tetrasodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(1-oxido-3,8-disulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
Also Known As: C.I. Direct Blue 95, Direct blue 95 (C.I. 23150), Cuprate(4-), (mu-((7,7'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl-kappaN1))bis(8-(hydroxy-kappaO)-1,6-naphthalenedisulfonato))(8-)))di-, sodium (1:4), Cuprate(4-), [.mu.-[[7,7'-[[3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4,4'-diyl]bis(azo-.kappa.N1)]bis[8-(hydroxy-.kappa.O)-1,6-naphthalenedisulfonato]](8-)]]di-, tetrasodium, Cuprate(4-), (mu-((7,7'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(azo-kappaN1))bis(8-(hydroxy-kappaO)-1,6-naphthalenedisulfonato))(8-)))di-, tetrasodium
| Molecular Formula | C32H14Cu2N4Na4O16S4 |
|---|---|
| Molecular Weight | 1055.75 g/mol |
| LogP | -9.5874 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 5 |
| Exact Mass | 1055.7471 |
| Heavy Atoms | 62 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 72939-55-0 |
|---|---|
| SMILES | C1=CC2=CC(=C(C(=C2C(=C1)S(=O)(=O)[O-])[O-])N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=C6C=CC=C(C6=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | MRPFCWNHYPTLSW-UHFFFAOYSA-F |
Product Overview
RefChem:579925 (CAS 72939-55-0), with molecular formula C32H14Cu2N4Na4O16S4 and molecular weight 1055.75 g/mol. IUPAC: dicopper;tetrasodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(1-oxido-3,8-disulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate.
Chemical Property Profile of RefChem:579925
Property Insights of RefChem:579925
The XLogP value of -9.5874 indicates that RefChem:579925 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 404.0 Ų indicates high polarity, suggesting RefChem:579925 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579925 has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579925?
The CAS number of RefChem:579925 is 72939-55-0.
What is the molecular formula of RefChem:579925?
The molecular formula of RefChem:579925 is C32H14Cu2N4Na4O16S4.
What is the molecular weight of RefChem:579925?
The molecular weight of RefChem:579925 is 1055.75 g/mol.
Where can I buy RefChem:579925?
You can request a quote for RefChem:579925 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579925?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579925 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.