2-bromo-2-chloro-3-iodo-4-oxa-1-azabicyclo[3.1.0]hex-2-ene

CAS No.：

Cat. No.: SC251182

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Product Name :2-bromo-2-chloro-3-iodo-4-oxa-1-azabicyclo[3.1.0]hex-2-ene

Cat. No.: :SC251182

Purity / Specification :—

CAS No. :2090517-93-2

MDL No. :NA

Molecular Formula :C₆H₃BrClIO

LogP :—

Molecular Weight :333.35

TPSA :—

Category :CRO / Contract Research

HSN Code :—

SMILES Code :Oc1ccc(Br)c(Cl)c1I

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✓ 333.3 Da

LogP ≤ 5— N/A

HBD ≤ 5— N/A

HBA ≤ 10— N/A

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

100/100

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.