RefChem:579970
TL;DR: RefChem:579970 (CAS 68516-99-4) 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 8-amino-2-[[6-[[2-hydroxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxido-7-sulfonaphthalen-2-yl]diazenyl]-5,7-disulfonaphthalen-1-olate
Also Known As: Cuprate(4-), (4-amino-5-hydroxy-6-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-1,3-naphthalenedisulfonato(6-))-, tetrahydrogen, Cuprate(4-), (4-amino-5-hydroxy-6-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-1,3-naphthalenedisulfonato(6-))-, hydrogen (1:4), Cuprate(4-), [4-amino-5-hydroxy-6-[[5-(hydroxy-.kappa.O)-6-[[2-(hydroxy-.kappa.O)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo-.kappa.N1]-7-sulfo-2-naphthalenyl]azo]-1,3-naphthalenedisulfonato(6-)]-, tetrahydrogen, copper 6-[2-(8-amino-1-oxo-5,7-disulfonaphthalen-2-ylidene)hydrazinyl]-2-[[2-oxido-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-sulfonaphthalen-1-olate, Cuprate(4-), [4-amino-5-hydroxy-6-[[5-hydroxy-6-[[2-hydroxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-7-sulfo-2-naphthalenyl]azo]-1,3-naphthalenedisulfonato(6-)]-, tetrahydrogen
| Molecular Formula | C28H21CuN5O18S5 |
|---|---|
| Molecular Weight | 937.88 g/mol |
| LogP | 2.59 |
| Topological Polar Surface Area | 445.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 937.8781 |
| Heavy Atoms | 57 |
| Complexity | 2030.0 |
Chemical Identifiers
| CAS Number | 68516-99-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C(C=C2C=C1N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)N=NC5=C(C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)O)[O-].[Cu+2] |
| InChIKey | MANHGELTTRWUGB-UHFFFAOYSA-L |
Product Overview
RefChem:579970 (CAS 68516-99-4), with molecular formula C28H21CuN5O18S5 and molecular weight 937.88 g/mol. IUPAC: copper 8-amino-2-[[6-[[2-hydroxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxido-7-sulfonaphthalen-2-yl]diazenyl]-5,7-disulfonaphthalen-1-olate.
Chemical Property Profile of RefChem:579970
Property Insights of RefChem:579970
The XLogP value of 2.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:579970. The TPSA of 445.0 Ų indicates high polarity, suggesting RefChem:579970 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579970 has 6 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:579970?
The CAS number of RefChem:579970 is 68516-99-4.
What is the molecular formula of RefChem:579970?
The molecular formula of RefChem:579970 is C28H21CuN5O18S5.
What is the molecular weight of RefChem:579970?
The molecular weight of RefChem:579970 is 937.88 g/mol.
Where can I buy RefChem:579970?
You can request a quote for RefChem:579970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579970?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.