Research chemical
CAS Number: 499211-09-5
![[3-(4-Bromophenyl)-2-methyl-4-oxochromen-7-yl] 5-acetyloxy-2-methyl-1-benzofuran-3-carboxylate molecular structure, CAS 499211-09-5](/structure-images/499211-09-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1559282
Exact Mass
546.03142
InChIKey
CHCPKGXVRPOMTF-UHFFFAOYSA-N
SMILES String
CC(=O)Oc1ccc2oc(C)c(C(=O)Oc3ccc4c(=O)c(-c5ccc(Br)cc5)c(C)oc4c3)c2c1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
[3-(4-Bromophenyl)-2-methyl-4-oxochromen-7-yl] 5-acetyloxy-2-methyl-1-benzofuran-3-carboxylate is identified by CAS 499211-09-5, with molecular formula C28H19BrO7, molecular weight 547.3, InChIKey CHCPKGXVRPOMTF-UHFFFAOYSA-N.
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Heavy atom count
36
H-bond acceptors
7
H-bond donors
0
Rotatable bonds
4
Ring count
5
Aromatic rings
5
Topological polar surface area
95.95 Ų
Computed LogP
6.73
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
[3-(4-Bromophenyl)-2-methyl-4-oxochromen-7-yl] 5-acetyloxy-2-methyl-1-benzofuran-3-carboxylate (CAS 499211-09-5) is maintained as a commercial cas reference with formula C28H19BrO7, molecular weight 547. 30 g/mol, PubChem CID 1559282.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.