Tert-butyl 6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
CAS No.：
Cat. No.: SC251166
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Product Name :Tert-butyl 6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
Cat. No.: :SC251166
Purity / Specification :—
CAS No. :1123169-45-8
MDL No. :MFCD11858570
Molecular Formula :C14H18BrNO2
LogP :3.80
Molecular Weight :312.21
TPSA :29.5
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)Br
Melting Point :—
InChI Key : :HXVKARGTRMNFQU-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✓ 312.2 Da
LogP ≤ 5✓ 3.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i79/100
Good drug-like profile
Predicted LogP
i3.80log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 29.5Ų · 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.