Ethyl 2-acetyl-5-(1,3-dioxoisoindol-2-yl)pentanoate
CAS No.：
Cat. No.: SC25878
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Product Name :Ethyl 2-acetyl-5-(1,3-dioxoisoindol-2-yl)pentanoate
Cat. No.: :SC25878
Purity / Specification :—
CAS No. :55747-45-0
MDL No. :MFCD0039947
Molecular Formula :C17H19NO5
LogP :2.30
Molecular Weight :317.34
TPSA :80.8
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)C
Melting Point :—
InChI Key : :XDGCOSMBEZEXSN-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✓ 317.3 Da
LogP ≤ 5✓ 2.30
HBD ≤ 5✓ 0
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i95/100
Excellent drug-like profile
Predicted LogP
i2.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 80.8Ų · 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.