Research chemical
CAS Number: 1005270-41-6
![4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione molecular structure, CAS 1005270-41-6](/structure-images/1005270-41-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3449061
Exact Mass
516.251189
InChIKey
JYGVBDUPDUESNF-UHFFFAOYSA-N
SMILES String
CCCCOc1ccc(C2CC(=O)C3=C(C2)CC(c2ccc(OCCCC)cc2)C2C(=O)OC(=O)C32)cc1
No physical property values available.
XLogP
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.
4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione is identified by CAS 1005270-41-6, with molecular formula C32H36O6, molecular weight 516.6, InChIKey JYGVBDUPDUESNF-UHFFFAOYSA-N.
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5.4
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
38
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
10
Ring count
5
Aromatic rings
2
Topological polar surface area
78.9 Ų
Computed LogP
6.29
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione (CAS 1005270-41-6) is an English MolGraph catalog reference, molecular formula C32H36O6 and molecular weight 516. 60 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.