1-(5-chloropyrazin-2-yl)ethanone
CAS No.：
Cat. No.: SC24696
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :1-(5-chloropyrazin-2-yl)ethanone
Cat. No.: :SC24696
Purity / Specification :—
CAS No. :160252-31-3
MDL No. :MFCD12400924
Molecular Formula :C6H5ClN2O
LogP :0.80
Molecular Weight :156.57
TPSA :42.9
Category :Building Blocks
HSN Code :—
SMILES Code :CC(=O)C1=CN=C(C=N1)Cl
Melting Point :—
InChI Key : :NMMJHUZSTPHGCA-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✓ 156.6 Da
LogP ≤ 5✓ 0.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i65/100
Moderate — typical building block
Predicted LogP
i0.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 42.9Ų · 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.