Research chemical
CAS Number: 2820191-11-3
![2,5-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one molecular structure, CAS 2820191-11-3](/structure-images/2820191-11-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
164876482
Exact Mass
289.159772
InChIKey
KSRPVICEYACVOB-UHFFFAOYSA-N
SMILES String
Cc1c(B2OC(C)(C)C(C)(C)O2)ccc2nn(C)c(=O)n12
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.
2,5-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is identified by CAS 2820191-11-3, with molecular formula C14H20BN3O3, molecular weight 289.14, InChIKey KSRPVICEYACVOB-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
21
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
57.76 Ų
Computed LogP
0.64
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
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2,5-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CAS 2820191-11-3) is maintained as a commercial cas reference with formula C14H20BN3O3, molecular weight 289. 14 g/mol, PubChem CID 164876482.
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, fragment-like structure profile, lead-like structure 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.