(2-oxo-1-phenylmethoxypiperidin-3-yl)phosphonic acid
CAS No.：
Cat. No.: SC25861
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Product Name :(2-oxo-1-phenylmethoxypiperidin-3-yl)phosphonic acid
Cat. No.: :SC25861
Purity / Specification :—
CAS No. :2004714-48-9
MDL No. :—
Molecular Formula :C12H16NO5P
LogP :0.50
Molecular Weight :285.24
TPSA :87.1
Category :Building Blocks
HSN Code :—
SMILES Code :O=C1C(P(=O)(O)O)CCCN1OCc1ccccc1
Melting Point :—
InChI Key : :JWPJLPWSJNSAJN-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✓ 285.2 Da
LogP ≤ 5✓ 0.50
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i80/100
Good drug-like profile
Predicted LogP
i0.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 87.1Ų · 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.