Research chemical
CAS Number: 81-54-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
6683
Exact Mass
256.037173
InChIKey
BBNQQADTFFCFGB-UHFFFAOYSA-N
IUPAC Name
1,2,4-trihydroxyanthracene-9,10-dione
SMILES String
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O
Appearance
Orange or red solid; [Merck Index] Dark brown powder; [Aldrich MSDS]
XLogP
2.9
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
19
H-bond acceptors
5
H-bond donors
3
Rotatable bonds
0
Ring count
3
Aromatic rings
2
Topological polar surface area
94.83 Ų
Computed LogP
1.58
Structural features
Purpurin anthraquinone (CAS 81-54-9) is listed in the Catalysts and Ligands portfolio, with molecular formula C14H8O5 and molecular weight 256. 21 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for catalysis development, ligand screening, and synthetic method research.
Documentation needs
Consult the supplier SDS before handling; For research use only.
ChEMBL reports experimental activity evidence for: Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 3 assays; Amine oxidase [flavin-containing] A (Homo sapiens) — 9 assays; GroEL/GroES (Escherichia coli) — 4 assays; Microtubule-associated protein tau (Homo sapiens) — 3 assays; Cell division protein FtsZ (Escherichia coli K-12) — 17 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
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.
Procurement notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Purpurin anthraquinone is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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.
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 6.5
Experimental evidence source: ChEMBL
Amine oxidase [flavin-containing] A
Homo sapiens · SINGLE PROTEIN · 9 qualifying assays · 4 documents · best pChEMBL 6.38
Experimental evidence source: ChEMBL
GroEL/GroES
Escherichia coli · PROTEIN COMPLEX · 4 qualifying assays · 1 documents · best pChEMBL 5.4
Experimental evidence source: ChEMBL
Microtubule-associated protein tau
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.3
Experimental evidence source: ChEMBL
Cell division protein FtsZ
Escherichia coli K-12 · SINGLE PROTEIN · 17 qualifying assays · 1 documents · best pChEMBL 4.96
Experimental evidence source: ChEMBL
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.