5-(3-bromophenyl)pyrrolidin-2-one
CAS No.：
Cat. No.: SC25995
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Product Name :5-(3-bromophenyl)pyrrolidin-2-one
Cat. No.: :SC25995
Purity / Specification :—
CAS No. :1314757-72-6
MDL No. :MFCD19700281
Molecular Formula :C10H10BrNO
LogP :1.80
Molecular Weight :240.10
TPSA :29.1
Category :Building Blocks
HSN Code :—
SMILES Code :C1CC(=O)NC1C2=CC(=CC=C2)Br
Melting Point :—
InChI Key : :RJOAFGQNRQKQSX-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✓ 240.1 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i76/100
Good drug-like profile
Predicted LogP
i1.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 29.1Ų · 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.