2-[1-[(1aR,4S,5R,6aR)-1a,4,5,6,6a-hexahydro-1H-cyclopropa[c]furan-4-yl]-1-hydroxy-ethyl]-1-[(1aR,4S,5aR)-1-keto-1a,4,5,6-tetrahydro-1H-cyclopropa[c][1,4]oxazepin-4-yl]ethanone
CAS No.：
Cat. No.: SC25918
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2-[1-[(1aR,4S,5R,6aR)-1a,4,5,6,6a-hexahydro-1H-cyclopropa[c]furan-4-yl]-1-hydroxy-ethyl]-1-[(1aR,4S,5aR)-1-keto-1a,4,5,6-tetrahydro-1H-cyclopropa[c][1,4]oxazepin-4-yl]ethanone
Cat. No.: :SC25918
Purity / Specification :—
CAS No. :511272-45-0
MDL No. :MFCD03428026
Molecular Formula :C22H19NO4S
LogP :3.80
Molecular Weight :393.46
TPSA :104.0
Category :API Impurities
HSN Code :—
SMILES Code :O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1
Melting Point :—
InChI Key : :—
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✓ 393.5 Da
LogP ≤ 5✓ 3.80
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i3.80log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 104.0Ų · 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.