Research chemical
Xanthone
CAS Number: 90-47-1
Product details
Identity & specification
- Molecular formula
- C13H8O2
- Molecular weight
- 196.2 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
7020
Exact Mass
196.052429
InChIKey
JNELGWHKGNBSMD-UHFFFAOYSA-N
IUPAC Name
xanthen-9-one
SMILES String
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
Physical Properties
Appearance
Solid; [Merck Index] Off-white powder; [Alfa Aesar MSDS]
Show more physical data
Vapor Pressure
Estimated very low; unit not specified
XLogP
3.4
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
15
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
0
Ring count
3
Aromatic rings
3
Topological polar surface area
30.21 Ų
Computed LogP
2.95
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.
Catalog Facts
Structural features
Xanthone (CAS 90-47-1) is listed in the Catalysts and Ligands portfolio, with molecular formula C13H8O2 and molecular weight 196. 20 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.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Amine oxidase [flavin-containing] A (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Alpha-galactosidase A (Homo sapiens) — 2 assays; Protein deacetylase HDAC6 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Amine oxidase [flavin-containing] A
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.21
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.9
Experimental evidence source: ChEMBL
Alpha-galactosidase A
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.45
Experimental evidence source: ChEMBL
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety & Handling
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
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
Sourcing context and documentation notes
Show details
Procurement notes
Sourcing context and documentation 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.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 90-47-1 in stock?
Xanthone is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.
How is the final price confirmed?
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.
Can MolGraph provide COA or SDS for CAS 90-47-1?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.