3-(6-bromo-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CAS No.：
Cat. No.: SC251179
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Product Name :3-(6-bromo-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
Cat. No.: :SC251179
Purity / Specification :—
CAS No. :2504234-93-7
MDL No. :MFCD35138082
Molecular Formula :C16H11BrN2O3
LogP :2.20
Molecular Weight :359.18
TPSA :66.5
Category :CRO / Contract Research
HSN Code :—
SMILES Code :O=C1CCC(N2C(=O)c3cccc4c(Br)ccc2c34)C(=O)N1
Melting Point :—
InChI Key : :QBXULVRUMLWTTI-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✓ 359.2 Da
LogP ≤ 5✓ 2.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i97/100
Excellent drug-like profile
Predicted LogP
i2.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 66.5Ų · 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.