Research chemical
CAS Number: 7181-73-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
19667
Exact Mass
256.170139
InChIKey
AVWWVJUMXRXPNF-UHFFFAOYSA-N
IUPAC Name
benzyl-dimethyl-(2-phenoxyethyl)azanium
SMILES String
C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2
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.
Bephenium is identified by CAS 7181-73-9, with molecular formula C17H22NO+, molecular weight 256.36, InChIKey AVWWVJUMXRXPNF-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Protein deacetylase HDAC6. 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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
3.4
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
19
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
6
Ring count
2
Aromatic rings
2
Topological polar surface area
9.23 Ų
Computed LogP
3.34
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
Bephenium (CAS 7181-73-9) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C17H22NO+ and molecular weight 256. 36 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS before handling; For research use only.
ChEMBL reports experimental activity evidence for: Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Protein deacetylase HDAC6
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.