4-bromonaphthalene-2-carbonitrile
CAS No.：
Cat. No.: SC251193
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :4-bromonaphthalene-2-carbonitrile
Cat. No.: :SC251193
Purity / Specification :—
CAS No. :496835-91-7
MDL No. :MFCD17012555
Molecular Formula :C11H6BrN
LogP :3.10
Molecular Weight :232.08
TPSA :23.8
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=CC=C2C(=C1)C=C(C=C2Br)C#N
Melting Point :—
InChI Key : :VFVLFPVBNRQPHB-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✓ 232.1 Da
LogP ≤ 5✓ 3.10
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
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.