4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzoic acid
CAS No.：
Cat. No.: SC251027
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Product Name :4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzoic acid
Cat. No.: :SC251027
Purity / Specification :—
CAS No. :948304-40-3
MDL No. :—
Molecular Formula :C16H23N3O
LogP :4.60
Molecular Weight :273.38
TPSA :96.9
Category :API Intermediates
HSN Code :—
SMILES Code :FC(OC1=CC=C(C=C1)NC(=O)NC1CCC(CC1)OC1=CC=C(C(=O)O)C=C1)(F)F
Melting Point :—
InChI Key : :XDVFKCZZXOGEMN-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✓ 273.4 Da
LogP ≤ 5✓ 4.60
HBD ≤ 5✓ 3
HBA ≤ 10✓ 8
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i58/100
Moderate — typical building block
Predicted LogP
i4.60log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 96.9Ų · 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.