Research chemical
CAS Number: 2170152-87-9
![(S)-5-(tert-Butyl)-2-mesityl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate molecular structure, CAS 2170152-87-9](/structure-images/2170152-87-9.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
154728841
Exact Mass
387.210505
InChIKey
FVELYMSQLHDRKS-XFULWGLBSA-N
IUPAC Name
(5S)-5-tert-butyl-2-(2,4,6-trimethylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
SMILES String
Cc1cc(C)c(-n2c[n+]3c(n2)COC[C@@H]3C(C)(C)C)c(C)c1.F[B-](F)(F)F
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
27
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
30.93 Ų
Computed LogP
4.5
Structural features
(S)-5-(tert-Butyl)-2-mesityl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate (CAS 2170152-87-9) is listed in the Catalysts and Ligands portfolio, with molecular formula C18H26BF4N3O and molecular weight 387. 20 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for catalysis development, ligand screening, and synthetic method research; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure.
Documentation needs
SDS signal word: Danger; hazard codes: H302, H314, H318; For research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
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.
(S)-5-(tert-Butyl)-2-mesityl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate 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
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
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
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 RequestSupplier 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.