ethyl 8-hydroxynaphthalene-2-carboxylate
CAS No.：
Cat. No.: SC18043
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Product Name :ethyl 8-hydroxynaphthalene-2-carboxylate
Cat. No.: :SC18043
Purity / Specification :—
CAS No. :95361-02-7
MDL No. :MFCD18416707
Molecular Formula :C13H12O3
LogP :2.72
Molecular Weight :216.24
TPSA :46.5
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)c1ccc2cccc(O)c2c1
Melting Point :—
InChI Key : :HOWRIKDSIRZJOF-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✓ 216.2 Da
LogP ≤ 5✓ 2.72
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i80/100
Good drug-like profile
Predicted LogP
i2.72log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 46.5Ų · 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.