6-chloro-3-iodo-2H-pyrazolo[3,4-b]pyrazine
CAS No.：
Cat. No.: SC251334
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Product Name :6-chloro-3-iodo-2H-pyrazolo[3,4-b]pyrazine
Cat. No.: :SC251334
Purity / Specification :—
CAS No. :1935196-58-9
MDL No. :—
Molecular Formula :C5H2ClIN4
LogP :1.50
Molecular Weight :280.45
TPSA :54.5
Category :CDMO
HSN Code :—
SMILES Code :C1=NC2=C(NN=C2N=C1Cl)I
Melting Point :—
InChI Key : :USJKPCMUIKHZAM-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✓ 280.5 Da
LogP ≤ 5✓ 1.50
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i91/100
Excellent drug-like profile
Predicted LogP
i1.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 54.5Ų · 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.