Research chemical
CAS Number: 339276-35-6
![N-[(3-acetyl-4,5-dihydro-5-isoxazolyl)methyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide molecular structure, CAS 339276-35-6](/structure-images/339276-35-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4639974
Exact Mass
558.056323
InChIKey
KYUGGLBTNUGZEM-UHFFFAOYSA-N
IUPAC Name
N-[(3-acetyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide
SMILES String
CC(=O)C1=NOC(CN(N(C)c2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
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.
N-[(3-acetyl-4,5-dihydro-5-isoxazolyl)methyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide is identified by CAS 339276-35-6, with molecular formula C20H17ClF6N4O4S, molecular weight 558.9, InChIKey KYUGGLBTNUGZEM-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
36
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
7
Ring count
3
Aromatic rings
2
Topological polar surface area
92.17 Ų
Computed LogP
4.55
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
N-[(3-acetyl-4,5-dihydro-5-isoxazolyl)methyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide (CAS 339276-35-6) is maintained as a commercial cas reference with formula C20H17ClF6N4O4S, molecular weight 558.
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.
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