1-methyl-4-[4-(2-methylphenyl)-5-nitro-2-pyridinyl]piperazine

CAS No.：

Cat. No.: SC23475

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Product Name :1-methyl-4-[4-(2-methylphenyl)-5-nitro-2-pyridinyl]piperazine

Cat. No.: :SC23475

Purity / Specification :—

CAS No. :1821250-45-6

MDL No. :—

Molecular Formula :C₁₇H₂₀N₄O₂

LogP :2.90

Molecular Weight :312.37

TPSA :65.2

Category :API Intermediates

HSN Code :—

SMILES Code :Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1[N+](=O)[O-]

Melting Point :—

InChI Key : :WNADRLNHGJPQEP-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✓ 312.4 Da

LogP ≤ 5✓ 2.90

HBD ≤ 5✓ 0

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

98/100

Excellent drug-like profile

Predicted LogP

2.90log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 65.2Å² · 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.