3,5-dibromo-1-propan-2-yl-1,2,4-triazole
CAS No.：
Cat. No.: SC24606
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :3,5-dibromo-1-propan-2-yl-1,2,4-triazole
Cat. No.: :SC24606
Purity / Specification :—
CAS No. :1240567-67-2
MDL No. :MFCD1681111
Molecular Formula :C5H7Br2N3
LogP :2.80
Molecular Weight :268.94
TPSA :30.7
Category :Building Blocks
HSN Code :—
SMILES Code :CC(C)n1nc(Br)nc1Br
Melting Point :—
InChI Key : :ZAGBJNJSWLSJCN-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✓ 268.9 Da
LogP ≤ 5✓ 2.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i85/100
Excellent drug-like profile
Predicted LogP
i2.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 30.7Ų · 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.