8-bromo-4-chloro-3-nitroquinoline
CAS No.：
Cat. No.: SC23498
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Product Name :8-bromo-4-chloro-3-nitroquinoline
Cat. No.: :SC23498
Purity / Specification :—
CAS No. :1602806-67-6
MDL No. :MFCD28955312
Molecular Formula :C9H4BrClN2O2
LogP :3.30
Molecular Weight :287.50
TPSA :58.7
Category :Building Blocks
HSN Code :—
SMILES Code :O=[N+]([O-])c1cnc2c(Br)cccc2c1Cl
Melting Point :—
InChI Key : :NIUWHFXFGJZPRJ-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✓ 287.5 Da
LogP ≤ 5✓ 3.30
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i91/100
Excellent drug-like profile
Predicted LogP
i3.30log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 58.7Ų · 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.