Research chemical
CAS Number: 1005276-94-7
![6-(3-bromophenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene molecular structure, CAS 1005276-94-7](/structure-images/1005276-94-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5306931
Exact Mass
402.08306
InChIKey
BWNAZAWQUGLOEV-UHFFFAOYSA-N
SMILES String
COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(Br)c1
No physical property values available.
XLogP
5.2
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.
6-(3-bromophenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene is identified by CAS 1005276-94-7, with molecular formula C21H23BrO3, molecular weight 403.3, InChIKey BWNAZAWQUGLOEV-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
25
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
4
Aromatic rings
2
Topological polar surface area
27.69 Ų
Computed LogP
5.61
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
6-(3-bromophenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene (CAS 1005276-94-7) is an English MolGraph catalog reference, molecular formula C21H23BrO3 and molecular weight 403. 30 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
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Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.