Research chemical
CAS Number: 330447-76-2
![N-{4-[1-(4-{[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}phenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl}-1,3-dioxo-2-phenyl-5-isoindolinecarboxamide molecular structure, CAS 330447-76-2](/structure-images/330447-76-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16132473
Exact Mass
814.206364
InChIKey
PEKBKWKORGCMCM-UHFFFAOYSA-N
IUPAC Name
N-[4-[1-[4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]phenyl]-3-oxo-2-benzofuran-1-yl]phenyl]-1,3-dioxo-2-phenylisoindole-5-carboxamide
SMILES String
O=C(Nc1ccc(C2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccccc4)C5=O)cc3)OC(=O)c3ccccc32)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
No physical property values available.
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.
N-{4-[1-(4-{[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}phenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl}-1,3-dioxo-2-phenyl-5-isoindolinecarboxamide is identified by CAS 330447-76-2, with molecular formula C50H30N4O8, molecular weight 814.8, InChIKey PEKBKWKORGCMCM-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
62
H-bond acceptors
12
H-bond donors
2
Rotatable bonds
8
Ring count
10
Aromatic rings
7
Topological polar surface area
159.26 Ų
Computed LogP
8.25
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
80 g/mol, PubChem CID 16132473.
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 nitrogen-containing heterocycle.
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