Research chemical
CAS Number: 338961-99-2
![5-{[N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)4-fluorobenzenesulfonamido]methyl}-N-[(phenylcarbamoyl)amino]-4,5-dihydro-1,2-oxazole-3-carboxamide molecular structure, CAS 338961-99-2](/structure-images/338961-99-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3731031
Exact Mass
657.118428
InChIKey
WXOOKKXNXFRLGZ-UHFFFAOYSA-N
IUPAC Name
1-[[5-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-phenylurea
SMILES String
O=C(NNC(=O)C1=NOC(CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccc1
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.
5-{[N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)4-fluorobenzenesulfonamido]methyl}-N-[(phenylcarbamoyl)amino]-4,5-dihydro-1,2-oxazole-3-carboxamide is identified by CAS 338961-99-2, with molecular formula C26H24ClF4N7O5S, molecular weight 658, InChIKey WXOOKKXNXFRLGZ-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
44
H-bond acceptors
12
H-bond donors
4
Rotatable bonds
10
Ring count
4
Aromatic rings
3
Topological polar surface area
154.12 Ų
Computed LogP
3.99
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
00 g/mol, PubChem CID 3731031.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
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