4-methyl-2,3-dihydro-1H-quinoxaline

CAS No.：

Cat. No.: SC261664

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Product Name :4-methyl-2,3-dihydro-1H-quinoxaline

Cat. No.: :SC261664

Purity / Specification :—

CAS No. :36438-97-8

MDL No. :—

Molecular Formula :C₉H₁₂N₂

LogP :1.80

Molecular Weight :148.21

TPSA :15.3

Category :Drug Discovery

HSN Code :—

SMILES Code :CN1CCNc2ccccc21

Melting Point :—

InChI Key : :SXLZJUPRTINRQQ-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✓ 148.2 Da

LogP ≤ 5✓ 1.80

HBD ≤ 5✓ 1

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

59/100

Moderate — typical building block

Predicted LogP

1.80log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 15.3Å² · 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.