Research chemical
CAS Number: 111967-89-6
![Ethanone, 1-[4,5-bis(dimethylamino)-1-naphthalenyl]- molecular structure, CAS 111967-89-6](/structure-images/111967-89-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
685108
Exact Mass
256.157563
InChIKey
HFWWAGBASRAYLW-UHFFFAOYSA-N
IUPAC Name
1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone
SMILES String
CC(=O)c1ccc(N(C)C)c2c(N(C)C)cccc12
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.
Ethanone, 1-[4,5-bis(dimethylamino)-1-naphthalenyl]- is identified by CAS 111967-89-6, with molecular formula C16H20N2O, molecular weight 256.34, InChIKey HFWWAGBASRAYLW-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Thyrotropin receptor. 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
3
H-bond donors
0
Rotatable bonds
3
Ring count
2
Aromatic rings
2
Topological polar surface area
23.55 Ų
Computed LogP
3.17
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
Ethanone, 1-[4,5-bis(dimethylamino)-1-naphthalenyl]- (CAS 111967-89-6) is maintained as a commercial cas reference with formula C16H20N2O, molecular weight 256. 34 g/mol, PubChem CID 685108.
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, 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: Thyrotropin receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Thyrotropin receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.6
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.