2-bromo-2-(methoxymethoxy)-6-(2-fluoro-2-methylidene-cyclopropylidene)-6-methyl-bicyclo[1.1.0]butane

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Cat. No.: SC251514

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Product Name :2-bromo-2-(methoxymethoxy)-6-(2-fluoro-2-methylidene-cyclopropylidene)-6-methyl-bicyclo[1.1.0]butane

Cat. No.: :SC251514

Purity / Specification :—

CAS No. :3068038-69-4

MDL No. :—

Molecular Formula :C₁₄H₁₄BrFO₂

LogP :4.29

Molecular Weight :313.17

TPSA :18.5

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CCc1c(F)ccc2cc(OCOC)cc(Br)c12

Melting Point :—

InChI Key : :FKLDFKDBGYBPNC-UHFFFAOYSA-N

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

✓ PASS

MW ≤ 500 Da✓ 313.2 Da

LogP ≤ 5✓ 4.29

HBD ≤ 5✓ 0

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

69/100

Moderate — typical building block

Predicted LogP

4.29log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 18.5Å² · 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.