Research chemical
CAS Number: 2816116-17-1
![tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate molecular structure, CAS 2816116-17-1](/structure-images/2816116-17-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
66760484
Exact Mass
403.264237
InChIKey
SHKKOSGHMUBCAN-UHFFFAOYSA-N
IUPAC Name
tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILES String
CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(B3OC(C)(C)C(C)(C)O3)cn1)C2
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.
tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate is identified by CAS 2816116-17-1, with molecular formula C21H34BN3O4, molecular weight 403.3, InChIKey SHKKOSGHMUBCAN-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
29
H-bond acceptors
7
H-bond donors
0
Rotatable bonds
2
Ring count
4
Aromatic rings
1
Topological polar surface area
65.82 Ų
Computed LogP
3.29
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
tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)-8-azabicyclo[3. 2. 1]octane-8-carboxylate (CAS 2816116-17-1) is maintained as a commercial cas reference with formula C21H34BN3O4, molecular weight 403.
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.