RefChem:579893
TL;DR: RefChem:579893 (CAS 68516-98-3) is a chemical compound with molecular formula C30H23CuN5O19S5 and molecular weight 979.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;5-acetamido-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: Cuprate(4-), (5-(acetylamino)-4-hydroxy-3-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-2,7-naphthalenedisulfonato(6-))-, tetrahydrogen, Copper, (1-hydroxy-2-((2-hydroxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-6-((1-hydroxy-8-acetylamino-3,6-disulfo-2-naphthalenyl)azo)-3-naphthalenesulfonato(2-))-, Cuprate(4-), (5-(acetylamino)-4-hydroxy-3-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-2,7-naphthalenedisulfonato(6-))-, hydrogen (1:4), Cuprate(4-), [5-(acetylamino)-4-hydroxy-3-[[5-(hydroxy-.kappa.O)-6-[[2-(hydroxy-.kappa.O)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo-.kappa.N1]-7-sulfo-2-naphthalenyl]azo]-2,7-naphthalenedisulfonato(6-)]-, tetrahydrogen, Tetrahydrogen (5-acetamido-4-hydroxy-3-((5-hydroxy-6-((2-hydroxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-7-sulpho-2-naphthyl)azo)naphthalene-2,7-disulphonato(6-))cuprate(4-)
| Molecular Formula | C30H23CuN5O19S5 |
|---|---|
| Molecular Weight | 979.89 g/mol |
| LogP | 2.0453 |
| Topological Polar Surface Area | 459.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 9 |
| Exact Mass | 979.8887 |
| Heavy Atoms | 60 |
| Complexity | 2090.0 |
Chemical Identifiers
| CAS Number | 68516-98-3 |
|---|---|
| SMILES | [H+].[H+].[H+].[H+].CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=CC4=CC(=C(C(=C4C=C3)[O-])N=NC5=C(C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Cu+2] |
| InChIKey | UMVLMDXFVTWBOP-UHFFFAOYSA-L |
Product Overview
RefChem:579893 (CAS 68516-98-3), with molecular formula C30H23CuN5O19S5 and molecular weight 979.89 g/mol. IUPAC: copper;5-acetamido-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:579893
Property Insights of RefChem:579893
The XLogP value of 2.0453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:579893. The TPSA of 459.0 Ų indicates high polarity, suggesting RefChem:579893 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579893 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:579893?
The CAS number of RefChem:579893 is 68516-98-3.
What is the molecular formula of RefChem:579893?
The molecular formula of RefChem:579893 is C30H23CuN5O19S5.
What is the molecular weight of RefChem:579893?
The molecular weight of RefChem:579893 is 979.89 g/mol.
Where can I buy RefChem:579893?
You can request a quote for RefChem:579893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579893?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.