3-(piperidin-4-yl)quinolin-2(1H)-one hydrochloride(BMS-742413 (Zavegepant Intermediate), ≥98.91%
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Cat. No.: SC23457
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Product Name :3-(piperidin-4-yl)quinolin-2(1H)-one hydrochloride(BMS-742413 (Zavegepant Intermediate)
Cat. No.: :SC23457
Purity / Specification :≥98.91%
CAS No. :855778-84-6
MDL No. :MFCD23159984
Molecular Formula :C14H17ClN2O
LogP :2.42
Molecular Weight :264.75
TPSA :41.1
Category :API Intermediates
HSN Code :—
SMILES Code :Cl.O=c1[nH]c2ccccc2cc1C1CCNCC1
Melting Point :—
InChI Key : :BAPAUBKDZOEWJL-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✓ 264.8 Da
LogP ≤ 5✓ 2.42
HBD ≤ 5✓ 3
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i82/100
Good drug-like profile
Predicted LogP
i2.42log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 41.1Ų · 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.