Research chemical
CAS Number: 2549053-46-3
![1,3,5-trimethyl-4-[(5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)sulfonyl]-1H-pyrazole molecular structure, CAS 2549053-46-3](/structure-images/2549053-46-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
154581553
Exact Mass
416.174293
InChIKey
FFKNTUYMOKSARH-UHFFFAOYSA-N
IUPAC Name
3-methyl-6-[5-(1,3,5-trimethylpyrazol-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
Cc1nn(C)c(C)c1S(=O)(=O)N1CC2CN(c3ccc4nnc(C)n4n3)CC2C1
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.
1,3,5-trimethyl-4-[(5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)sulfonyl]-1H-pyrazole is identified by CAS 2549053-46-3, with molecular formula C18H24N8O2S, molecular weight 416.5, InChIKey FFKNTUYMOKSARH-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
29
H-bond acceptors
10
H-bond donors
0
Rotatable bonds
3
Ring count
5
Aromatic rings
3
Topological polar surface area
101.52 Ų
Computed LogP
0.54
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
1,3,5-trimethyl-4-[(5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)sulfonyl]-1H-pyrazole (CAS 2549053-46-3) is maintained as a commercial cas reference with formula C18H24N8O2S, molecular weight 416.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.