Tert-butyl N-[(1S,3aS,6aS)-1-methylidene-3-oxo-2,4,5,6a-tetrahydro-1H-cyclopropa[c][1,4]diazepin-1-ylium-1-yl]carbamate

CAS No.：

Cat. No.: SC251282

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Product Name :Tert-butyl N-[(1S,3aS,6aS)-1-methylidene-3-oxo-2,4,5,6a-tetrahydro-1H-cyclopropa[c][1,4]diazepin-1-ylium-1-yl]carbamate

Cat. No.: :SC251282

Purity / Specification :—

CAS No. :1822586-96-8

MDL No. :—

Molecular Formula :C₁₅H₂₀N₂O₃

LogP :—

Molecular Weight :276.34

TPSA :—

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2CNC1=O

Melting Point :—

InChI Key : :—

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✗ FAIL

MW ≤ 500 Da✓ 276.3 Da

LogP ≤ 5— N/A

HBD ≤ 5— N/A

HBA ≤ 10— N/A

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

87/100

Excellent drug-like profile

Predicted LogP

N/A

CNS Permeability

Clark model · J Pharm Sci, 1999

TPSA data required

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.