Ethyl 4,6-dichloropyridazine-3-carboxylate
CAS No.：
Cat. No.: SC24603
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Product Name :Ethyl 4,6-dichloropyridazine-3-carboxylate
Cat. No.: :SC24603
Purity / Specification :—
CAS No. :679406-03-2
MDL No. :MFCD11521570
Molecular Formula :C7H6Cl2N2O2
LogP :2.00
Molecular Weight :221.04
TPSA :52.1
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)c1nnc(Cl)cc1Cl
Melting Point :—
InChI Key : :MOWPWJUYSRHMHS-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 221.0 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i83/100
Good drug-like profile
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 52.1Ų · 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.