2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylpyran-4-one

CAS No.：

Cat. No.: SC22200

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Product Name :2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylpyran-4-one

Cat. No.: :SC22200

Purity / Specification :—

CAS No. :958457-26-6

MDL No. :MFCD29921004

Molecular Formula :C₁₃H₂₂O₄Si

LogP :3.18

Molecular Weight :270.40

TPSA :55.8

Category :Building Blocks

HSN Code :—

SMILES Code :Cc1cc(=O)c(O)c(CO[Si](C)(C)C(C)(C)C)o1

Melting Point :—

InChI Key : :WECXNONQHVJMED-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✓ 270.4 Da

LogP ≤ 5✓ 3.18

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

88/100

Excellent drug-like profile

Predicted LogP

3.18log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 55.8Å² · 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.