4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoic acid
CAS No.：
Cat. No.: SC20116
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Product Name :4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoic acid
Cat. No.: :SC20116
Purity / Specification :—
CAS No. :1392809-08-3
MDL No. :MFCD3270961
Molecular Formula :C22H12ClF3N2O3
LogP :5.80
Molecular Weight :444.79
TPSA :72.2
Category :Building Blocks
HSN Code :—
SMILES Code :O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc23)cc1
Melting Point :—
InChI Key : :DANLZOIRUUHIIX-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✓ 444.8 Da
LogP ≤ 5✗ 5.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 7
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i5.80log units
Highly lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 72.2Ų · 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.