5-hydroxy-2-methoxybenzaldehyde
CAS No.：
Cat. No.: SC25851
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Product Name :5-hydroxy-2-methoxybenzaldehyde
Cat. No.: :SC25851
Purity / Specification :—
CAS No. :35431-26-6
MDL No. :MFCD0382004
Molecular Formula :C8H8O3
LogP :1.00
Molecular Weight :152.15
TPSA :46.5
Category :Building Blocks
HSN Code :—
SMILES Code :COC1=C(C=C(C=C1)O)C=O
Melting Point :—
InChI Key : :HWNIBJPEJAWOTR-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✓ 152.1 Da
LogP ≤ 5✓ 1.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i65/100
Moderate — typical building block
Predicted LogP
i1.00log 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.