Research chemical
CAS Number: 618389-59-6
![[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate molecular structure, CAS 618389-59-6](/structure-images/618389-59-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1867066
Exact Mass
516.178418
InChIKey
QVAFKNJVDVYLDC-UHFFFAOYSA-N
SMILES String
CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1OC(=O)c1ccc(OC)c(OC)c1
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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate is identified by CAS 618389-59-6, with molecular formula C30H28O8, molecular weight 516.5, InChIKey QVAFKNJVDVYLDC-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
38
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
6
Ring count
5
Aromatic rings
4
Topological polar surface area
93.43 Ų
Computed LogP
5.73
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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate (CAS 618389-59-6) is maintained as a commercial cas reference with formula C30H28O8, molecular weight 516. 50 g/mol, PubChem CID 1867066.
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.