Research chemical
CAS Number: 12167-45-2
![Disodium 5-(acetylamino)-3-[(dimethylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate molecular structure, CAS 12167-45-2](/structure-images/12167-45-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
82962
Exact Mass
537.025245
InChIKey
IKDBCBTZCFSJJH-UHFFFAOYSA-L
IUPAC Name
disodium;5-acetamido-3-[(3,4-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
SMILES String
CC1=C(C=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)O)C.[Na+].[Na+]
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.
Disodium 5-(acetylamino)-3-[(dimethylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate is identified by CAS 12167-45-2, with molecular formula C20H17N3Na2O8S2, molecular weight 537.5, InChIKey IKDBCBTZCFSJJH-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
35
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
5
Ring count
3
Aromatic rings
3
Topological polar surface area
188.45 Ų
Computed LogP
-2.65
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
Disodium 5-(acetylamino)-3-[(dimethylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate (CAS 12167-45-2) is maintained as a commercial cas reference with formula C20H17N3Na2O8S2, molecular weight 537. 50 g/mol, PubChem CID 82962.
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.