1-(2-bromo-6-fluorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea, ≥99.81%
CAS No.：
Cat. No.: SC20080
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Product Name :1-(2-bromo-6-fluorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
Cat. No.: :SC20080
Purity / Specification :≥99.81%
CAS No. :917389-23-2
MDL No. :MFCD28167868
Molecular Formula :C15H11BrF4N2O2
LogP :4.10
Molecular Weight :407.16
TPSA :50.4
Category :API Intermediates
HSN Code :—
SMILES Code :COc1ccc(C(F)(F)F)cc1NC(=O)Nc1c(F)cccc1Br
Melting Point :—
InChI Key : :HYPQVNLUKMOLIV-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✓ 407.2 Da
LogP ≤ 5✓ 4.10
HBD ≤ 5✓ 2
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i74/100
Good drug-like profile
Predicted LogP
i4.10log 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.