3-bromo-5-fluoro-2-methylaniline
CAS No.：
Cat. No.: SC21146
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Product Name :3-bromo-5-fluoro-2-methylaniline
Cat. No.: :SC21146
Purity / Specification :—
CAS No. :502496-36-8
MDL No. :MFCD03094193
Molecular Formula :C7H7BrFN
LogP :2.40
Molecular Weight :204.04
TPSA :26.0
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1c(N)cc(F)cc1Br
Melting Point :—
InChI Key : :DSYSVUWIAUMZDQ-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✓ 204.0 Da
LogP ≤ 5✓ 2.40
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i2.40log 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.