Research chemical
CAS Number: 11119-62-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
9916275
Exact Mass
580.131388
InChIKey
SXQCTESRRZBPHJ-UHFFFAOYSA-M
IUPAC Name
sodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-disulfonate
SMILES String
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3ccc(N(CC)CC)cc3[o+]c2c1.[Na+]
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.
Acid Red 52 is identified by CAS 11119-62-3, with molecular formula C27H29N2NaO7S2, molecular weight 580.7, InChIKey SXQCTESRRZBPHJ-UHFFFAOYSA-M.
ChEMBL contains qualifying experimental assay evidence associated with Pyruvate kinase, Tumor susceptibility gene 101 protein, Isocitrate dehydrogenase [NADP] cytoplasmic, Rap guanine nucleotide exchange factor 3, Rap guanine nucleotide exchange factor 4. These records do not establish therapeutic efficacy or clinical use.
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
39
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
9
Ring count
4
Aromatic rings
4
Topological polar surface area
132.18 Ų
Computed LogP
2.04
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
Acid Red 52 (CAS 11119-62-3) is maintained as a commercial cas reference with formula C27H29N2NaO7S2, molecular weight 580. 70 g/mol, PubChem CID 9916275.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Pyruvate kinase (Leishmania mexicana) — 2 assays; Tumor susceptibility gene 101 protein (Homo sapiens) — 3 assays; Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens) — 2 assays; Rap guanine nucleotide exchange factor 3 (Homo sapiens) — 2 assays; Rap guanine nucleotide exchange factor 4 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Pyruvate kinase
Leishmania mexicana · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.8
Experimental evidence source: ChEMBL
Tumor susceptibility gene 101 protein
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Isocitrate dehydrogenase [NADP] cytoplasmic
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Rap guanine nucleotide exchange factor 3
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Rap guanine nucleotide exchange factor 4
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
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.