6-bromo-5-(trifluoromethyl)-1H-indole
CAS No.：
Cat. No.: SC251051
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Product Name :6-bromo-5-(trifluoromethyl)-1H-indole
Cat. No.: :SC251051
Purity / Specification :—
CAS No. :2756893-17-9
MDL No. :NA
Molecular Formula :C9H5BrF3N
LogP :3.60
Molecular Weight :264.05
TPSA :15.8
Category :Building Blocks
HSN Code :—
SMILES Code :C1=CNC2=CC(=C(C=C21)C(F)(F)F)Br
Melting Point :—
InChI Key : :KHLNGOKMOQVLDJ-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✓ 264.0 Da
LogP ≤ 5✓ 3.60
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i3.60log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 15.8Ų · 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.