Research chemical
CAS Number: 113134-53-5
![2-(3,4-dimethoxyphenyl)-3-hydroxy-4H-benzo[h]chromen-4-one molecular structure, CAS 113134-53-5](/structure-images/113134-53-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4839583
Exact Mass
348.099774
InChIKey
QKKFAWYMSIFENP-UHFFFAOYSA-N
IUPAC Name
2-(3,4-dimethoxyphenyl)-3-hydroxybenzo[h]chromen-4-one
SMILES String
COc1ccc(-c2oc3c(ccc4ccccc43)c(=O)c2O)cc1OC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-(3,4-dimethoxyphenyl)-3-hydroxy-4H-benzo[h]chromen-4-one is identified by CAS 113134-53-5, with molecular formula C21H16O5, molecular weight 348.3, InChIKey QKKFAWYMSIFENP-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Broad substrate specificity ATP-binding cassette transporter ABCG2. 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
26
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
3
Ring count
4
Aromatic rings
4
Topological polar surface area
68.9 Ų
Computed LogP
4.34
Fragment-like structure rule
No
Lead-like structure rule
No
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.
Structural features
2-(3,4-dimethoxyphenyl)-3-hydroxy-4H-benzo[h]chromen-4-one (CAS 113134-53-5) is maintained as a commercial cas reference with formula C21H16O5, molecular weight 348. 30 g/mol, PubChem CID 4839583.
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 drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Broad substrate specificity ATP-binding cassette transporter ABCG2
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.14
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.