1-(2-bromo-5-hydroxyphenyl)ethanone
CAS No.：
Cat. No.: SC20093
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Product Name :1-(2-bromo-5-hydroxyphenyl)ethanone
Cat. No.: :SC20093
Purity / Specification :—
CAS No. :1127422-81-4
MDL No. :MFCD18452018
Molecular Formula :C8H7BrO2
LogP :1.90
Molecular Weight :215.05
TPSA :37.3
Category :Building Blocks
HSN Code :—
SMILES Code :CC(=O)c1cc(O)ccc1Br
Melting Point :—
InChI Key : :ZZCFCXHCWBGEDV-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✓ 215.0 Da
LogP ≤ 5✓ 1.90
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i76/100
Good drug-like profile
Predicted LogP
i1.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 37.3Ų · 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.