3-ethyl-1H-indole
CAS No.：
Cat. No.: SC251157
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Product Name :3-ethyl-1H-indole
Cat. No.: :SC251157
Purity / Specification :—
CAS No. :1484-19-1
MDL No. :MFCD0188136
Molecular Formula :C10H11N
LogP :3.00
Molecular Weight :145.21
TPSA :15.8
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CCC1=CNC2=CC=CC=C21
Melting Point :—
InChI Key : :GOVXKUCVZUROAN-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✓ 145.2 Da
LogP ≤ 5✓ 3.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 0
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i55/100
Moderate — typical building block
Predicted LogP
i3.00log units
Optimal range (0–3)
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.