(2-oxopiperidin-4-yl)boronic acid
CAS No.：
Cat. No.: SC25847
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Product Name :(2-oxopiperidin-4-yl)boronic acid
Cat. No.: :SC25847
Purity / Specification :—
CAS No. :2377587-43-2
MDL No. :MFCD3083433
Molecular Formula :C5H10BNO3
LogP :-1.26
Molecular Weight :142.95
TPSA :69.6
Category :Building Blocks
HSN Code :—
SMILES Code :O=C1CC(B(O)O)CCN1
Melting Point :—
InChI Key : :VEUODXFSGWUIKC-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✓ 142.9 Da
LogP ≤ 5✓ -1.26
HBD ≤ 5✓ 3
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i48/100
Fragment / low drug-likeness
Predicted LogP
i-1.26log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 69.6Ų · 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.