Research chemical
CAS Number: 85940-65-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
174521
Exact Mass
677.873293
InChIKey
AGJCUCNRQYBKFY-UHFFFAOYSA-K
IUPAC Name
potassium;disodium;4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
SMILES String
C1=CC(=CC=C1N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[K+]
No physical property values available.
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.
4-Hydroxy-3-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid, potassium sodium salt is identified by CAS 85940-65-4, with molecular formula C18H13KN2Na2O13S4, molecular weight 678.6, InChIKey AGJCUCNRQYBKFY-UHFFFAOYSA-K.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
40
H-bond acceptors
15
H-bond donors
1
Rotatable bonds
9
Ring count
3
Aromatic rings
3
Topological polar surface area
259.92 Ų
Computed LogP
-7.97
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
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
4-Hydroxy-3-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid, potassium sodium salt (CAS 85940-65-4) is maintained as a commercial cas reference with formula C18H13KN2Na2O13S4, molecular weight 678. 60 g/mol, PubChem CID 174521.
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.
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.