Research chemical
CAS Number: 68555-96-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
110565
Exact Mass
499.928354
InChIKey
FIEYIWKZXRWRMR-UHFFFAOYSA-L
IUPAC Name
copper 6-amino-2-[(2-oxido-5-sulfophenyl)diazenyl]-3-sulfonaphthalen-1-olate
SMILES String
C1=CC2=C(C(=C(C=C2C=C1N)S(=O)(=O)O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)[O-])[O-].[Cu+2]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Cuprate(2-), (7-amino-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-2-naphthalenesulfonato(4-))-, hydrogen (1:2) is identified by CAS 68555-96-4, with molecular formula C16H11CuN3O8S2, molecular weight 501, InChIKey FIEYIWKZXRWRMR-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
30
H-bond acceptors
11
H-bond donors
4
Rotatable bonds
4
Ring count
3
Aromatic rings
3
Topological polar surface area
205.6 Ų
Computed LogP
1.48
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Cuprate(2-), (7-amino-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-2-naphthalenesulfonato(4-))-, hydrogen (1:2) (CAS 68555-96-4) is maintained as a commercial cas reference with formula C16H11CuN3O8S2, molecular weight 501.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, transition-metal-containing structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.