3,6-dichloropyridazine-4-carbonitrile
CAS No.：
Cat. No.: SC23251
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :3,6-dichloropyridazine-4-carbonitrile
Cat. No.: :SC23251
Purity / Specification :—
CAS No. :35857-93-3
MDL No. :MFCD1662182
Molecular Formula :C5HCl2N3
LogP :1.50
Molecular Weight :173.98
TPSA :49.6
Category :Building Blocks
HSN Code :—
SMILES Code :N#Cc1cc(Cl)nnc1Cl
Melting Point :—
InChI Key : :PEVHRZSJJSZRFC-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✓ 174.0 Da
LogP ≤ 5✓ 1.50
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i74/100
Good drug-like profile
Predicted LogP
i1.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 49.6Ų · 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.