2-[benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CAS No.：
Cat. No.: SC20091
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2-[benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
Cat. No.: :SC20091
Purity / Specification :—
CAS No. :36467-25-1
MDL No. :MFCD18379199
Molecular Formula :C16H17NO3
LogP :2.50
Molecular Weight :271.32
TPSA :60.8
Category :API Impurities
HSN Code :—
SMILES Code :CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1
Melting Point :—
InChI Key : :LVERDXLUFRHUKR-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✓ 271.3 Da
LogP ≤ 5✓ 2.50
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i90/100
Excellent drug-like profile
Predicted LogP
i2.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 60.8Ų · 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.