4-hydroxy-5-nitro-2-(trifluoromethyl)benzoic acid
CAS No.：
Cat. No.: SC251511
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :4-hydroxy-5-nitro-2-(trifluoromethyl)benzoic acid
Cat. No.: :SC251511
Purity / Specification :—
CAS No. :1265901-34-5
MDL No. :—
Molecular Formula :C8H4F3NO5
LogP :2.40
Molecular Weight :251.12
TPSA :103.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=C(C(=CC(=C1[N+](=O)[O-])O)C(F)(F)F)C(=O)O
Melting Point :—
InChI Key : :RDJBSZSPLHSSLD-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✓ 251.1 Da
LogP ≤ 5✓ 2.40
HBD ≤ 5✓ 2
HBA ≤ 10✓ 8
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i77/100
Good drug-like profile
Predicted LogP
i2.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 103.0Ų · 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.