Research chemical
CAS Number: 113146-46-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2870379
Exact Mass
255.162314
InChIKey
PGCNUHPZARTKBM-UHFFFAOYSA-N
IUPAC Name
2-tert-butyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILES String
CC(C)(C)C1CCc2[nH]c3ccccc3c(=O)c2C1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-tert-butyl-1,3,4,10-tetrahydroacridin-9(2H)-one is identified by CAS 113146-46-6, with molecular formula C17H21NO, molecular weight 255.35, InChIKey PGCNUHPZARTKBM-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cellular tumor antigen p53, ATPase family AAA domain-containing protein 5, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
19
H-bond acceptors
2
H-bond donors
1
Rotatable bonds
0
Ring count
3
Aromatic rings
2
Topological polar surface area
32.86 Ų
Computed LogP
3.68
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
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-tert-butyl-1,3,4,10-tetrahydroacridin-9(2H)-one (CAS 113146-46-6) is maintained as a cataloged research chemical with formula C17H21NO, molecular weight 255. 35 g/mol, PubChem CID 2870379.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Cellular tumor antigen p53 (Homo sapiens) — 3 assays; ATPase family AAA domain-containing protein 5 (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cellular tumor antigen p53
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5
Experimental evidence source: ChEMBL
ATPase family AAA domain-containing protein 5
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.