2-(4-methoxyphenyl)pyridine-3-carbaldehyde

CAS No.：

Cat. No.: SC251220

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Product Name :2-(4-methoxyphenyl)pyridine-3-carbaldehyde

Cat. No.: :SC251220

Purity / Specification :—

CAS No. :885949-59-7

MDL No. :—

Molecular Formula :C₁₃H₁₁NO₂

LogP :1.90

Molecular Weight :213.24

TPSA :39.2

Category :CRO / Contract Research

HSN Code :—

SMILES Code :COC1=CC=C(C=C1)C2=C(C=CC=N2)C=O

Melting Point :—

InChI Key : :WMJFIXDFODEDNR-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 213.2 Da

LogP ≤ 5✓ 1.90

HBD ≤ 5✓ 0

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

78/100

Good drug-like profile

Predicted LogP

1.90log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 39.2Å² · 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.