Research chemical
CAS Number: 325693-60-5
![2-[3-[5-(2-Oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione molecular structure, CAS 325693-60-5](/structure-images/325693-60-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3776093
Exact Mass
539.199111
InChIKey
XAUUAMRKPGLLND-UHFFFAOYSA-N
SMILES String
O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)N1CCCCC1
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.
2-[3-[5-(2-Oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione is identified by CAS 325693-60-5, with molecular formula C30H29N5O3S, molecular weight 539.6, InChIKey XAUUAMRKPGLLND-UHFFFAOYSA-N.
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Heavy atom count
39
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
8
Ring count
6
Aromatic rings
4
Topological polar surface area
88.4 Ų
Computed LogP
4.75
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
2-[3-[5-(2-Oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione (CAS 325693-60-5) is maintained as a commercial cas reference with formula C30H29N5O3S, molecular weight 539. 60 g/mol, PubChem CID 3776093.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.