Dimethyl 4-oxooxolane-2,3-dicarboxylate

CAS No.：

Cat. No.: SC261715

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Product Name :Dimethyl 4-oxooxolane-2,3-dicarboxylate

Cat. No.: :SC261715

Purity / Specification :—

CAS No. :38559-46-5

MDL No. :—

Molecular Formula :C₈H₁₀O₆

LogP :-1.08

Molecular Weight :202.16

TPSA :78.9

Category :Drug Discovery

HSN Code :—

SMILES Code :COC(=O)C1OCC(=O)C1C(=O)OC

Melting Point :—

InChI Key : :RIYDSMXVCYHYJE-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 202.2 Da

LogP ≤ 5✓ -1.08

HBD ≤ 5✓ 0

HBA ≤ 10✓ 6

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

61/100

Moderate — typical building block

Predicted LogP

-1.08log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 78.9Å² · 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.