2-bromo-1-(4-chlorophenyl)propan-1-one
CAS No.：
Cat. No.: SC22183
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Product Name :2-bromo-1-(4-chlorophenyl)propan-1-one
Cat. No.: :SC22183
Purity / Specification :—
CAS No. :877-37-2
MDL No. :MFCD00018687
Molecular Formula :C9H8BrClO
LogP :3.40
Molecular Weight :247.52
TPSA :17.1
Category :Building Blocks
HSN Code :—
SMILES Code :CC(Br)C(=O)c1ccc(Cl)cc1
Melting Point :—
InChI Key : :SAKMPXRILWVZEG-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✓ 247.5 Da
LogP ≤ 5✓ 3.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i3.40log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 17.1Ų · 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.