Research chemical
CAS Number: 1114546-03-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
59556974
Exact Mass
298.092912
InChIKey
LJQBTMVNFWIQQC-RYUDHWBXSA-N
IUPAC Name
4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
SMILES String
CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(C(F)(F)F)c1
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.
Androgen receptor modulators 1 is identified by CAS 1114546-03-0, with molecular formula C14H13F3N2O2, molecular weight 298.26, InChIKey LJQBTMVNFWIQQC-RYUDHWBXSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Androgen receptor, Progesterone 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
21
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
2
Ring count
2
Aromatic rings
1
Topological polar surface area
64.33 Ų
Computed LogP
2.45
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
Androgen receptor modulators 1 (CAS 1114546-03-0) is maintained as a cataloged research chemical with formula C14H13F3N2O2, molecular weight 298. 26 g/mol, PubChem CID 59556974.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; 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: Androgen receptor (Homo sapiens) — 6 assays; Progesterone receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Androgen receptor
Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 3 documents · best pChEMBL 8.44
Experimental evidence source: ChEMBL
Progesterone receptor
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.