[(2R,3R,4R,5S)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CAS No.：
Cat. No.: SC21159
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Product Name :[(2R,3R,4R,5S)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
Cat. No.: :SC21159
Purity / Specification :—
CAS No. :1233335-84-6
MDL No. :—
Molecular Formula :C20H18BrFO5
LogP :4.60
Molecular Weight :437.26
TPSA :61.8
Category :Building Blocks
HSN Code :—
SMILES Code :C[C@]1(F)[C@H](Br)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Melting Point :—
InChI Key : :BXKUNDXPWMNAMP-XNFNUYLZSA-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✓ 437.3 Da
LogP ≤ 5✓ 4.60
HBD ≤ 5✓ 0
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i4.60log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 61.8Ų · 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.