2-bromo-2-fluoro-5-spiro[cyclopropane-1,1'-cyclopropane]-2-ylidene-1H-cyclopropane
CAS No.：
Cat. No.: SC23415
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Product Name :2-bromo-2-fluoro-5-spiro[cyclopropane-1,1'-cyclopropane]-2-ylidene-1H-cyclopropane
Cat. No.: :SC23415
Purity / Specification :—
CAS No. :1029438-08-1
MDL No. :—
Molecular Formula :C12H7BrF2
LogP :4.39
Molecular Weight :269.09
TPSA :0.0
Category :Building Blocks
HSN Code :—
SMILES Code :Fc1ccc(-c2ccc(Br)c(F)c2)cc1
Melting Point :—
InChI Key : :VWKWTPLBAMCKOY-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✓ 269.1 Da
LogP ≤ 5✓ 4.39
HBD ≤ 5✓ 0
HBA ≤ 10✓ 0
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i56/100
Moderate — typical building block
Predicted LogP
i4.39log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 0.0Ų · 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.