Research chemical
CAS Number: 2828438-91-9
![(R)-5-Benzyl-2-(2,4,6-trichlorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate molecular structure, CAS 2828438-91-9](/structure-images/2828438-91-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
171703451
Exact Mass
481.030988
InChIKey
GCJKYTWFUFCURK-PFEQFJNWSA-N
IUPAC Name
(5R)-5-benzyl-2-(2,4,6-trichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
SMILES String
Clc1cc(Cl)c(-[n+]2cn3c(n2)COC[C@H]3Cc2ccccc2)c(Cl)c1.F[B-](F)(F)F
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.
(R)-5-Benzyl-2-(2,4,6-trichlorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate is identified by CAS 2828438-91-9, with molecular formula C18H15BCl3F4N3O, molecular weight 482.5, InChIKey GCJKYTWFUFCURK-PFEQFJNWSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
3
Ring count
4
Aromatic rings
3
Topological polar surface area
30.93 Ų
Computed LogP
5.73
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.
Structural features
(R)-5-Benzyl-2-(2,4,6-trichlorophenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate (CAS 2828438-91-9) is maintained as a commercial cas reference with formula C18H15BCl3F4N3O, molecular weight 482. 50 g/mol, PubChem CID 171703451.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.