Methyl 5-hydroxynaphthalene-2-carboxylate
CAS No.：
Cat. No.: SC18046
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Product Name :Methyl 5-hydroxynaphthalene-2-carboxylate
Cat. No.: :SC18046
Purity / Specification :—
CAS No. :188861-83-8
MDL No. :MFCD18417663
Molecular Formula :C12H10O3
LogP :3.50
Molecular Weight :202.21
TPSA :46.5
Category :Building Blocks
HSN Code :—
SMILES Code :COC(=O)c1ccc2c(O)cccc2c1
Melting Point :—
InChI Key : :LENWVHZYLOZACS-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✓ 202.2 Da
LogP ≤ 5✓ 3.50
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i3.50log units
Lipophilic
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.