6-fluoroquinoxaline
CAS No.：
Cat. No.: SC251074
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Product Name :6-fluoroquinoxaline
Cat. No.: :SC251074
Purity / Specification :—
CAS No. :1644-14-0
MDL No. :MFCD03094247
Molecular Formula :C8H5FN2
LogP :1.60
Molecular Weight :148.14
TPSA :25.8
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=CC2=NC=CN=C2C=C1F
Melting Point :—
InChI Key : :JIXCXZJOGOGGIU-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✓ 148.1 Da
LogP ≤ 5✓ 1.60
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i64/100
Moderate — typical building block
Predicted LogP
i1.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 25.8Ų · 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.