Research chemical
CAS Number: 100568-02-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1548968
Exact Mass
309.134049
InChIKey
RTHCYVBBDHJXIQ-INIZCTEOSA-N
IUPAC Name
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILES String
CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1
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.
(S)-Fluoxetine is identified by CAS 100568-02-3, with molecular formula C17H18F3NO, molecular weight 309.33, InChIKey RTHCYVBBDHJXIQ-INIZCTEOSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Muscarinic acetylcholine receptor M1, Cytochrome P450 2C19, Cytochrome P450 2D6, Cytochrome P450 3A4, Nuclear factor NF-kappa-B p105 subunit. 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
4
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
22
H-bond acceptors
2
H-bond donors
1
Rotatable bonds
6
Ring count
2
Aromatic rings
2
Topological polar surface area
21.26 Ų
Computed LogP
4.43
Fragment-like structure rule
No
Lead-like structure rule
No
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
(S)-Fluoxetine (CAS 100568-02-3) is an English MolGraph catalog reference, molecular formula C17H18F3NO and molecular weight 309. 33 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, bioactivity screening workflows, 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: Muscarinic acetylcholine receptor M1 (Rattus norvegicus) — 2 assays; Cytochrome P450 2C19 (Homo sapiens) — 2 assays; Cytochrome P450 2D6 (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 3 assays; Nuclear factor NF-kappa-B p105 subunit (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Muscarinic acetylcholine receptor M1
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.2
Experimental evidence source: ChEMBL
Cytochrome P450 2C19
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.9
Experimental evidence source: ChEMBL
Cytochrome P450 2D6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.9
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.4
Experimental evidence source: ChEMBL
Nuclear factor NF-kappa-B p105 subunit
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.3
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.