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- Purity
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CAS Number: 406205-74-1
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CAS Number
406205-74-1
PubChem CID
10479060
Molecular Formula
C18H13F6NO4S
Molecular Weight
453.4 g/mol
Exact Mass
453.046948
InChIKey
LWUSZIVDPJPVBW-UHFFFAOYSA-N
IUPAC Name
[3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] 4,4,4-trifluorobutane-1-sulfonate
SMILES String
N#Cc1c(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)cccc1C(F)(F)F
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
3-(2-Cyano-3-(trifluoromethyl)phenoxy)phenyl-4,4,4-trifluoro-1-butanesulfonate (CAS 406205-74-1) is listed in the Advanced Chemicals portfolio, with molecular formula C18H13F6NO4S and molecular weight 453. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Cannabinoid receptor 2 (Homo sapiens) — 3 assays; Cannabinoid receptor 1 (Homo sapiens) — 2 assays; Cannabinoid receptor 1 (Rattus norvegicus) — 2 assays; Nuclear receptor ROR-gamma (Mus musculus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cannabinoid receptor 2
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 7.34
Experimental evidence source: ChEMBL
Cannabinoid receptor 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 7.32
Experimental evidence source: ChEMBL
Cannabinoid receptor 1
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.26
Experimental evidence source: ChEMBL
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
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3-(2-Cyano-3-(trifluoromethyl)phenoxy)phenyl-4,4,4-trifluoro-1-butanesulfonate is identified by CAS 406205-74-1, with molecular formula C18H13F6NO4S, molecular weight 453.4, InChIKey LWUSZIVDPJPVBW-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cannabinoid receptor 2, Cannabinoid receptor 1, Cannabinoid receptor 1, Nuclear receptor ROR-gamma. 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.
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