8-bromo-2-chloroquinazoline
CAS No.：
Cat. No.: SC25938
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Product Name :8-bromo-2-chloroquinazoline
Cat. No.: :SC25938
Purity / Specification :—
CAS No. :956100-63-3
MDL No. :MFCD1104384
Molecular Formula :C8H4BrClN2
LogP :3.20
Molecular Weight :243.49
TPSA :25.8
Category :Building Blocks
HSN Code :—
SMILES Code :Clc1ncc2cccc(Br)c2n1
Melting Point :—
InChI Key : :BFDGSOGSXIFDNF-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✓ 243.5 Da
LogP ≤ 5✓ 3.20
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i76/100
Good drug-like profile
Predicted LogP
i3.20log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 25.8Ų · 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.