8-chloro-1,2,3,4-tetrahydro-2,7-naphthyridine;dihydrochloride

CAS No.：

Cat. No.: SC24721

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Product Name :8-chloro-1,2,3,4-tetrahydro-2,7-naphthyridine;dihydrochloride

Cat. No.: :SC24721

Purity / Specification :—

CAS No. :2193067-92-2

MDL No. :—

Molecular Formula :C₈H₁₁Cl₃N₂

LogP :2.22

Molecular Weight :241.54

TPSA :24.9

Category :Building Blocks

HSN Code :—

SMILES Code :Cl.Cl.Clc1nccc2c1CNCC2

Melting Point :—

InChI Key : :CNPXVOKVRFYXJJ-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✓ 241.5 Da

LogP ≤ 5✓ 2.22

HBD ≤ 5✓ 3

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

73/100

Good drug-like profile

Predicted LogP

2.22log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 24.9Å² · 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.