Research chemical
CAS Number: 497847-62-8
![Ethyl 4-[4-(4-chloro-3-methylphenyl)-1,3,9,11-tetraoxospiro[2,4,5,6,3a,6a-hexa hydro-5-oxa-2-azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-2-yl]benzoate molecular structure, CAS 497847-62-8](/structure-images/497847-62-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2851672
Exact Mass
543.10848
InChIKey
QDMWPZFGSSJWSC-UHFFFAOYSA-N
IUPAC Name
ethyl 4-[1-(4-chloro-3-methylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
SMILES String
CCOC(=O)c1ccc(N2C(=O)C3C(c4ccc(Cl)c(C)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1
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.
Ethyl 4-[4-(4-chloro-3-methylphenyl)-1,3,9,11-tetraoxospiro[2,4,5,6,3a,6a-hexa hydro-5-oxa-2-azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-2-yl]benzoate is identified by CAS 497847-62-8, with molecular formula C30H22ClNO7, molecular weight 543.9, InChIKey QDMWPZFGSSJWSC-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
39
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
4
Ring count
6
Aromatic rings
3
Topological polar surface area
107.05 Ų
Computed LogP
4.52
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
90 g/mol, PubChem CID 2851672.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
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