Research chemical
CAS Number: 858746-45-9
![3-methoxy-7-methyl-9,10,11,12-tetrahydro-5H-benzo[c][1]benzofuro[3,2-g]chromen-5-one molecular structure, CAS 858746-45-9](/structure-images/858746-45-9.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
906918
Exact Mass
334.120509
InChIKey
MBWKBVWXWFPSMK-UHFFFAOYSA-N
IUPAC Name
18-methoxy-12-methyl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),12,16(21),17,19-heptaen-15-one
SMILES String
COc1ccc2c(c1)c(=O)oc1c(C)c3oc4c(c3cc12)CCCC4
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.
3-methoxy-7-methyl-9,10,11,12-tetrahydro-5H-benzo[c][1]benzofuro[3,2-g]chromen-5-one is identified by CAS 858746-45-9, with molecular formula C21H18O4, molecular weight 334.4, InChIKey MBWKBVWXWFPSMK-UHFFFAOYSA-N.
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.
Heavy atom count
25
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
1
Ring count
5
Aromatic rings
4
Topological polar surface area
52.58 Ų
Computed LogP
4.89
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
3-methoxy-7-methyl-9,10,11,12-tetrahydro-5H-benzo[c][1]benzofuro[3,2-g]chromen-5-one (CAS 858746-45-9) is maintained as a commercial cas reference with formula C21H18O4, molecular weight 334. 40 g/mol, PubChem CID 906918.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.