Research chemical
CAS Number: 338410-30-3
![5'-(2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone molecular structure, CAS 338410-30-3](/structure-images/338410-30-3.png?v=struct-v3)
Product details
PubChem CID
3682743
Exact Mass
488.107432
InChIKey
OKTWSSVCZSYRSV-UHFFFAOYSA-N
IUPAC Name
5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5',5'-dimethylspiro[3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,2'-cyclohexane]-1',3',4,6-tetrone
SMILES String
CC1(C)CC(=O)C2(NOC3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)C32)C(=O)C1
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
5'-(2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone is identified by CAS 338410-30-3, with molecular formula C20H20ClF3N4O5, molecular weight 488.8, InChIKey OKTWSSVCZSYRSV-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.
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
9
H-bond donors
2
Rotatable bonds
4
Ring count
4
Aromatic rings
1
Topological polar surface area
117.7 Ų
Computed LogP
1.75
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
80 g/mol, PubChem CID 3682743.
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.