4-chloro-2-fluoro-5-methylaniline
CAS No.：
Cat. No.: SC23314
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Product Name :4-chloro-2-fluoro-5-methylaniline
Cat. No.: :SC23314
Purity / Specification :—
CAS No. :116759-33-2
MDL No. :MFCD0906248
Molecular Formula :C7H7ClFN
LogP :2.30
Molecular Weight :159.59
TPSA :26.0
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1cc(N)c(F)cc1Cl
Melting Point :—
InChI Key : :KENAMMSVUHVEOL-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✓ 159.6 Da
LogP ≤ 5✓ 2.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i65/100
Moderate — typical building block
Predicted LogP
i2.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 26.0Ų · 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.