Ethyl (3S)-2-azabicyclo[2.2.2]octane-3-carboxylate;hydrochloride
CAS No.：
Cat. No.: SC251255
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Product Name :Ethyl (3S)-2-azabicyclo[2.2.2]octane-3-carboxylate;hydrochloride
Cat. No.: :SC251255
Purity / Specification :—
CAS No. :1212156-56-3
MDL No. :—
Molecular Formula :C10H18ClNO2
LogP :1.50
Molecular Weight :219.71
TPSA :38.3
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CCOC(=O)[C@@H]1C2CCC(N1)CC2.Cl
Melting Point :—
InChI Key : :FIWZUSAHLMHNIX-BUJNUYNZSA-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✓ 219.7 Da
LogP ≤ 5✓ 1.50
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i74/100
Good drug-like profile
Predicted LogP
i1.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 38.3Ų · 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.