RefChem:579895
TL;DR: RefChem:579895 (CAS 68400-23-7) is a chemical compound with molecular formula C28H21CuN5O18S5 and molecular weight 937.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;5-amino-3-[[6-[[2-hydroxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-oxido-7-sulfonatonaphthalen-2-yl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate;hydron
Also Known As: EINECS 270-014-1, Cuprate(4-), (5-amino-4-(hydroxy-kappaO)-3-((5-(hydroxy-kappaO)-6-((2-hydroxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-2,7-naphthalenedisulfonato(6-))-, tetrahydrogen, Cuprate(4-), (5-amino-4-(hydroxy-kappaO)-3-(2-(5-(hydroxy-kappaO)-6-(2-(2-hydroxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-2,7-naphthalenedisulfonato(6-))-, hydrogen (1:4), Cuprate(4-), [5-amino-4-(hydroxy-.kappa.O)-3-[[5-(hydroxy-.kappa.O)-6-[[2-hydroxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo-.kappa.N1]-7-sulfo-2-naphthalenyl]azo]-2,7-naphthalenedisulfonato(6-)]-, tetrahydrogen, Cuprate(4-), [5-amino-4-(hydroxy-.kappa.O)-3-[2-[5-(hydroxy-.kappa.O)-6-[2-[2-hydroxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-7-sulfo-2-naphthalenyl]diazenyl]-2,7-naphthalenedisulfonato(6-)]-, hydrogen (1:4)
| Molecular Formula | C28H21CuN5O18S5 |
|---|---|
| Molecular Weight | 937.88 g/mol |
| LogP | 1.6691 |
| Topological Polar Surface Area | 413.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 937.8781 |
| Heavy Atoms | 57 |
| Complexity | 3145.4949 |
Chemical Identifiers
| CAS Number | 68400-23-7 |
|---|---|
| SMILES | [H+].[H+].[H+].[H+].C1=CC2=C(C(=C(C=C2C=C1N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)[O-])S(=O)(=O)[O-])N=NC5=C(C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])O)[O-].[Cu+2] |
Product Overview
RefChem:579895 (CAS 68400-23-7), with molecular formula C28H21CuN5O18S5 and molecular weight 937.88 g/mol. IUPAC: copper;5-amino-3-[[6-[[2-hydroxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-oxido-7-sulfonatonaphthalen-2-yl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate;hydron.
Chemical Property Profile of RefChem:579895
Property Insights of RefChem:579895
The XLogP value of 1.6691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:579895. The TPSA of 413.98 Ų indicates high polarity, suggesting RefChem:579895 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579895 has 2 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579895?
The CAS number of RefChem:579895 is 68400-23-7.
What is the molecular formula of RefChem:579895?
The molecular formula of RefChem:579895 is C28H21CuN5O18S5.
What is the molecular weight of RefChem:579895?
The molecular weight of RefChem:579895 is 937.88 g/mol.
Where can I buy RefChem:579895?
You can request a quote for RefChem:579895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579895?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.