4-amino-5-bromo-2-fluorobenzoic acid
CAS No.：
Cat. No.: SC23418
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Product Name :4-amino-5-bromo-2-fluorobenzoic acid
Cat. No.: :SC23418
Purity / Specification :—
CAS No. :1807757-07-8
MDL No. :MFCD28397837
Molecular Formula :C7H5BrFNO2
LogP :1.60
Molecular Weight :234.02
TPSA :63.3
Category :Building Blocks
HSN Code :—
SMILES Code :Nc1cc(F)c(C(=O)O)cc1Br
Melting Point :—
InChI Key : :LJZUVJQHLJXBFD-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✓ 234.0 Da
LogP ≤ 5✓ 1.60
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i83/100
Good drug-like profile
Predicted LogP
i1.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 63.3Ų · 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.