4,6-difluoro-1H-indazole
CAS No.：
Cat. No.: SC24739
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Product Name :4,6-difluoro-1H-indazole
Cat. No.: :SC24739
Purity / Specification :—
CAS No. :885520-26-3
MDL No. :MFCD07781
Molecular Formula :C7H4F2N2
LogP :1.80
Molecular Weight :154.12
TPSA :28.7
Category :Building Blocks
HSN Code :—
SMILES Code :Fc1cc(F)c2cn[nH]c2c1
Melting Point :—
InChI Key : :IVIBUEIPYSZJAI-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✓ 154.1 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i65/100
Moderate — typical building block
Predicted LogP
i1.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 28.7Ų · 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.