Research chemical
CAS Number: 2640966-83-0
![4-[(5-{3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)sulfonyl]-1-methyl-1H-pyrazole molecular structure, CAS 2640966-83-0](/structure-images/2640966-83-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
155981788
Exact Mass
402.158643
InChIKey
PWRQOSDNZPNVAH-UHFFFAOYSA-N
IUPAC Name
3-ethyl-6-[5-(1-methylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILES String
CCc1nnc2ccc(N3CC4CN(S(=O)(=O)c5cnn(C)c5)CC4C3)nn12
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.
4-[(5-{3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)sulfonyl]-1-methyl-1H-pyrazole is identified by CAS 2640966-83-0, with molecular formula C17H22N8O2S, molecular weight 402.5, InChIKey PWRQOSDNZPNVAH-UHFFFAOYSA-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
28
H-bond acceptors
10
H-bond donors
0
Rotatable bonds
4
Ring count
5
Aromatic rings
3
Topological polar surface area
101.52 Ų
Computed LogP
0.18
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
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
4-[(5-{3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)sulfonyl]-1-methyl-1H-pyrazole (CAS 2640966-83-0) is maintained as a commercial cas reference with formula C17H22N8O2S, molecular weight 402.
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, 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.