7-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
CAS No.：
Cat. No.: SC261663
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Product Name :7-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
Cat. No.: :SC261663
Purity / Specification :—
CAS No. :912284-83-4
MDL No. :—
Molecular Formula :C9H11FN2
LogP :1.90
Molecular Weight :166.20
TPSA :15.3
Category :Drug Discovery
HSN Code :—
SMILES Code :CN1CCNc2cc(F)ccc21
Melting Point :—
InChI Key : :DXIZWPSUAKANDM-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✓ 166.2 Da
LogP ≤ 5✓ 1.90
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i63/100
Moderate — typical building block
Predicted LogP
i1.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 15.3Ų · 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.