Research chemical
CAS Number: 284028-89-3
![2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one molecular structure, CAS 284028-89-3](/structure-images/284028-89-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2726824
Exact Mass
312.054419
InChIKey
KLGQSVMIPOVQAX-UHFFFAOYSA-N
SMILES String
C1CSCC2=C1NC(=NC2=O)C3=CC=C(C=C3)C(F)(F)F
No physical property values available.
XLogP
2.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
21
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
45.75 Ų
Computed LogP
3.25
Structural features
2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one (CAS 284028-89-3) is listed in the Advanced Chemicals portfolio, with molecular formula C14H11F3N2OS and molecular weight 312. 31 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
Consult the supplier SDS before handling; hazard codes: H302, H315, H320, H335; For research use only.
ChEMBL reports experimental activity evidence for: Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens) — 32 assays; Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens) — 34 assays; Poly [ADP-ribose] polymerase 1 (Homo sapiens) — 19 assays; Poly [ADP-ribose] polymerase 2 (Homo sapiens) — 12 assays; Protein mono-ADP-ribosyltransferase PARP3 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
No
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.
Poly [ADP-ribose] polymerase tankyrase-1
Homo sapiens · SINGLE PROTEIN · 32 qualifying assays · 19 documents · best pChEMBL 9
Experimental evidence source: ChEMBL
Poly [ADP-ribose] polymerase tankyrase-2
Homo sapiens · SINGLE PROTEIN · 34 qualifying assays · 21 documents · best pChEMBL 8.68
Experimental evidence source: ChEMBL
Poly [ADP-ribose] polymerase 1
Homo sapiens · SINGLE PROTEIN · 19 qualifying assays · 14 documents · best pChEMBL 8.66
Experimental evidence source: ChEMBL
Poly [ADP-ribose] polymerase 2
Homo sapiens · SINGLE PROTEIN · 12 qualifying assays · 11 documents · best pChEMBL 8.4
Experimental evidence source: ChEMBL
Protein mono-ADP-ribosyltransferase PARP3
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.08
Experimental evidence source: ChEMBL
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 RequestHazard statements: H302, H315, H320, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P264, P270, P301+P312, P330
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
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
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.