7-bromo-3-chloro-5-fluoroquinolin-2-amine
CAS No.：
Cat. No.: SC20114
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Product Name :7-bromo-3-chloro-5-fluoroquinolin-2-amine
Cat. No.: :SC20114
Purity / Specification :—
CAS No. :2354421-74-0
MDL No. :—
Molecular Formula :C9H5BrClFN2
LogP :3.30
Molecular Weight :275.50
TPSA :38.9
Category :Building Blocks
HSN Code :—
SMILES Code :Nc1nc2cc(Br)cc(F)c2cc1Cl
Melting Point :—
InChI Key : :OWNHZWUZCJRCLH-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✓ 275.5 Da
LogP ≤ 5✓ 3.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i84/100
Good drug-like profile
Predicted LogP
i3.30log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 38.9Ų · 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.