Ethyl 4-chloro-1,7-naphthyridine-2-carboxylate

CAS No.：

Cat. No.: SC23311

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Product Name :Ethyl 4-chloro-1,7-naphthyridine-2-carboxylate

Cat. No.: :SC23311

Purity / Specification :—

CAS No. :250674-51-2

MDL No. :MFCD21340214

Molecular Formula :C₁₁H₉ClN₂O₂

LogP :2.30

Molecular Weight :236.66

TPSA :52.1

Category :Building Blocks

HSN Code :—

SMILES Code :CCOC(=O)c1cc(Cl)c2ccncc2n1

Melting Point :—

InChI Key : :XXWINXGVBMPCCQ-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✓ 236.7 Da

LogP ≤ 5✓ 2.30

HBD ≤ 5✓ 0

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

87/100

Excellent drug-like profile

Predicted LogP

2.30log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 52.1Å² · 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.