2-(4-bromo-2-chlorophenyl)acetonitrile
CAS No.：
Cat. No.: SC24742
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2-(4-bromo-2-chlorophenyl)acetonitrile
Cat. No.: :SC24742
Purity / Specification :—
CAS No. :67197-54-0
MDL No. :—
Molecular Formula :C8H5BrClN
LogP :3.10
Molecular Weight :230.49
TPSA :23.8
Category :Building Blocks
HSN Code :—
SMILES Code :N#CCc1ccc(Br)cc1Cl
Melting Point :—
InChI Key : :MXZBZBHXAMJWMY-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✓ 230.5 Da
LogP ≤ 5✓ 3.10
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i3.10log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 23.8Ų · 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.