Ethyl (2aR,8R,8aR)-8-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,8,8a-tetrahydro-1H-[1]benzosilolo[3,2-c]pyridine-8-carboxylate
CAS No.：
Cat. No.: SC261807
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Product Name :Ethyl (2aR,8R,8aR)-8-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,8,8a-tetrahydro-1H-[1]benzosilolo[3,2-c]pyridine-8-carboxylate
Cat. No.: :SC261807
Purity / Specification :—
CAS No. :3104338-53-3
MDL No. :—
Molecular Formula :C16H25N3O4
LogP :2.83
Molecular Weight :323.39
TPSA :84.5
Category :Drug Discovery
HSN Code :—
SMILES Code :CCOC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2CC
Melting Point :—
InChI Key : :PRDJVWRDXYAFMM-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✓ 323.4 Da
LogP ≤ 5✓ 2.83
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i95/100
Excellent drug-like profile
Predicted LogP
i2.83log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 84.5Ų · 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.