Methyl 4-oxooxolane-2-carboxylate
CAS No.：
Cat. No.: SC261688
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Product Name :Methyl 4-oxooxolane-2-carboxylate
Cat. No.: :SC261688
Purity / Specification :—
CAS No. :98136-12-0
MDL No. :—
Molecular Formula :C6H8O4
LogP :-0.40
Molecular Weight :144.13
TPSA :52.6
Category :Drug Discovery
HSN Code :—
SMILES Code :COC(=O)C1CC(=O)CO1
Melting Point :—
InChI Key : :WUHVSNZGUSYYOW-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✓ 144.1 Da
LogP ≤ 5✓ -0.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i57/100
Moderate — typical building block
Predicted LogP
i-0.40log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 52.6Ų · 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.