1-(2-fluorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CAS No.：
Cat. No.: SC21127
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Product Name :1-(2-fluorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
Cat. No.: :SC21127
Purity / Specification :—
CAS No. :917389-24-3
MDL No. :MFCD30741893
Molecular Formula :C15H12F4N2O2
LogP :3.60
Molecular Weight :328.27
TPSA :50.4
Category :API Impurities
HSN Code :—
SMILES Code :COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccccc1F
Melting Point :—
InChI Key : :ISELQDXAOGXIAD-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✓ 328.3 Da
LogP ≤ 5✓ 3.60
HBD ≤ 5✓ 2
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i84/100
Good drug-like profile
Predicted LogP
i3.60log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 50.4Ų · 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.