furan-2-yl benzoate
CAS No.：
Cat. No.: SC251560
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Product Name :furan-2-yl benzoate
Cat. No.: :SC251560
Purity / Specification :—
CAS No. :20055-18-9
MDL No. :—
Molecular Formula :C11H8O3
LogP :2.50
Molecular Weight :188.18
TPSA :39.4
Category :API Impurities
HSN Code :—
SMILES Code :O=C(Oc1ccco1)c1ccccc1
Melting Point :—
InChI Key : :HMUXGYCCWIHXMK-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✓ 188.2 Da
LogP ≤ 5✓ 2.50
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i76/100
Good drug-like profile
Predicted LogP
i2.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 39.4Ų · 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.