3-O-tert-butyl 6-O-ethyl 3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate
CAS No.：
Cat. No.: SC23205
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :3-O-tert-butyl 6-O-ethyl 3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate
Cat. No.: :SC23205
Purity / Specification :—
CAS No. :179236-78-3
MDL No. :MFCD19440822
Molecular Formula :C13H21NO4
LogP :1.40
Molecular Weight :255.31
TPSA :55.8
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)C1C2CN(C(=O)OC(C)(C)C)CC21
Melting Point :—
InChI Key : :SESCEXYKMJZFEE-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✓ 255.3 Da
LogP ≤ 5✓ 1.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i86/100
Excellent drug-like profile
Predicted LogP
i1.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 55.8Ų · 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.