Methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CAS No.：
Cat. No.: SC261826
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Product Name :Methyl 2,3-dihydro-1-benzofuran-4-carboxylate
Cat. No.: :SC261826
Purity / Specification :—
CAS No. :1391292-24-2
MDL No. :MFCD22536374
Molecular Formula :C10H10O3
LogP :1.80
Molecular Weight :178.19
TPSA :35.5
Category :Drug Discovery
HSN Code :—
SMILES Code :COC(=O)c1cccc2c1CCO2
Melting Point :—
InChI Key : :YCPONHODNNTFEC-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✓ 178.2 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i1.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 35.5Ų · 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.