Research chemical
CAS Number: 332018-10-7
![17-(4-Bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name) molecular structure, CAS 332018-10-7](/structure-images/332018-10-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3119148
Exact Mass
502.01643
InChIKey
NDQQSCCFGCDACC-UHFFFAOYSA-N
IUPAC Name
17-(4-bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
SMILES String
O=CC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)C12
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.
17-(4-Bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name) is identified by CAS 332018-10-7, with molecular formula C25H15BrN2O5, molecular weight 503.3, InChIKey NDQQSCCFGCDACC-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
7
H-bond donors
0
Rotatable bonds
3
Ring count
7
Aromatic rings
3
Topological polar surface area
97.59 Ų
Computed LogP
4.11
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
17-(4-Bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6. 6. 5. 0~2,7~. 0~9,14~.
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
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