[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate
CAS No.：
Cat. No.: SC21157
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Product Name :[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate
Cat. No.: :SC21157
Purity / Specification :—
CAS No. :1199809-22-7
MDL No. :—
Molecular Formula :C20H19FO6
LogP :3.20
Molecular Weight :374.36
TPSA :82.1
Category :Building Blocks
HSN Code :—
SMILES Code :C[C@]1(F)[C@H](O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Melting Point :—
InChI Key : :KIGQNEVACHEDCP-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✓ 374.4 Da
LogP ≤ 5✓ 3.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 7
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i86/100
Excellent drug-like profile
Predicted LogP
i3.20log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 82.1Ų · 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.