1,3-bis[2-methoxy-5-(trifluoromethyl)phenyl]urea
CAS No.：
Cat. No.: SC21128
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Product Name :1,3-bis[2-methoxy-5-(trifluoromethyl)phenyl]urea
Cat. No.: :SC21128
Purity / Specification :—
CAS No. :6064-14-8
MDL No. :MFCD30748125
Molecular Formula :C17H14F6N2O3
LogP :4.70
Molecular Weight :408.30
TPSA :59.6
Category :Building Blocks
HSN Code :—
SMILES Code :COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cc(C(F)(F)F)ccc1OC
Melting Point :—
InChI Key : :JNZRRLKDUZVUOK-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✓ 408.3 Da
LogP ≤ 5✓ 4.70
HBD ≤ 5✓ 2
HBA ≤ 10✓ 9
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i64/100
Moderate — typical building block
Predicted LogP
i4.70log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 59.6Ų · 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.