1-(3-amino-2-methoxy-5-(trifluoromethyl)phenyl)-3-(2-fluorophenyl)urea
CAS No.：
Cat. No.: SC21125
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Product Name :1-(3-amino-2-methoxy-5-(trifluoromethyl)phenyl)-3-(2-fluorophenyl)urea
Cat. No.: :SC21125
Purity / Specification :—
CAS No. :—
MDL No. :—
Molecular Formula :C15H13F4N3O2
LogP :4.08
Molecular Weight :343.28
TPSA :76.4
Category :API Impurities
HSN Code :—
SMILES Code :COc1c(N)cc(C(F)(F)F)cc1NC(=O)Nc1ccccc1F
Melting Point :—
InChI Key : :BLXPJKFQYNPGTA-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✓ 343.3 Da
LogP ≤ 5✓ 4.08
HBD ≤ 5✓ 3
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i78/100
Good drug-like profile
Predicted LogP
i4.08log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 76.4Ų · 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.