2,4-dichloro-8-methoxyquinoline

CAS No.：

Cat. No.: SC23289

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Product Name :2,4-dichloro-8-methoxyquinoline

Cat. No.: :SC23289

Purity / Specification :—

CAS No. :32608-29-0

MDL No. :MFCD0764455

Molecular Formula :C₁₀H₇Cl₂NO

LogP :3.80

Molecular Weight :228.07

TPSA :22.1

Category :Building Blocks

HSN Code :—

SMILES Code :COc1cccc2c(Cl)cc(Cl)nc12

Melting Point :—

InChI Key : :YQPQBGCONUUZNN-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✓ 228.1 Da

LogP ≤ 5✓ 3.80

HBD ≤ 5✓ 0

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

65/100

Moderate — typical building block

Predicted LogP

3.80log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 22.1Å² · 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.