1-phenyl-3H-indol-2-one
CAS No.：
Cat. No.: SC-23373
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Product Name :1-phenyl-3H-indol-2-one
Cat. No.: :SC-23373
Purity / Specification :—
CAS No. :3335-98-6
MDL No. :MFCD00234850
Molecular Formula :C14H11NO
LogP :2.50
Molecular Weight :209.25
TPSA :20.3
Category :Scalable Synthesis
HSN Code :—
SMILES Code :O=C1Cc2ccccc2N1c1ccccc1
Melting Point :—
InChI Key : :OWPNVXATCSXTBK-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✓ 209.2 Da
LogP ≤ 5✓ 2.50
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i2.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 20.3Ų · 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.