Research chemical
CAS Number: 10172-60-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2335
Exact Mass
412.321555
InChIKey
SIYLLGKDQZGJHK-UHFFFAOYSA-N
IUPAC Name
benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium
SMILES String
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Benzethonium is identified by CAS 10172-60-8, with molecular formula C27H42NO2+, molecular weight 412.6, InChIKey SIYLLGKDQZGJHK-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with 5-hydroxytryptamine receptor 2A, Sodium-dependent dopamine transporter, Muscarinic acetylcholine receptor M2, Sodium-dependent noradrenaline transporter, D(3) dopamine 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.
XLogP
6.7
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
11
Ring count
2
Aromatic rings
2
Topological polar surface area
18.46 Ų
Computed LogP
6.07
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
Benzethonium (CAS 10172-60-8) is an English MolGraph catalog reference, molecular formula C27H42NO2+ and molecular weight 412. 60 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 2A (Homo sapiens) — 3 assays; Sodium-dependent dopamine transporter (Homo sapiens) — 2 assays; Muscarinic acetylcholine receptor M2 (Homo sapiens) — 2 assays; Sodium-dependent noradrenaline transporter (Homo sapiens) — 2 assays; D(3) dopamine receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
5-hydroxytryptamine receptor 2A
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 6.48
Experimental evidence source: ChEMBL
Sodium-dependent dopamine transporter
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.05
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M2
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.96
Experimental evidence source: ChEMBL
Sodium-dependent noradrenaline transporter
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.93
Experimental evidence source: ChEMBL
D(3) dopamine receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.81
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.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference