4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (HDAC4 ligand-2& Flufenoxadiazam Intermediate), ≥99.96%
CAS No.：
Cat. No.: SC261813
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Product Name :4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (HDAC4 ligand-2& Flufenoxadiazam Intermediate)
Cat. No.: :SC261813
Purity / Specification :≥99.96%
CAS No. :340736-76-7
MDL No. :—
Molecular Formula :C10H5F3N2O3
LogP :2.20
Molecular Weight :258.16
TPSA :76.2
Category :CDMO
HSN Code :—
SMILES Code :O=C(O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
Melting Point :—
InChI Key : :WJQLFPSEXHEXRM-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 258.2 Da
LogP ≤ 5✓ 2.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 8
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i86/100
Excellent drug-like profile
Predicted LogP
i2.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 76.2Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.