7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]naphthalene-1,3-diol

CAS No.：

Cat. No.: SC251611

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Product Name :7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]naphthalene-1,3-diol

Cat. No.: :SC251611

Purity / Specification :—

CAS No. :2621932-34-9

MDL No. :—

Molecular Formula :C₂₁H₂₇FO₂Si

LogP :5.96

Molecular Weight :358.53

TPSA :40.5

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CC(C)[Si](C#Cc1c(F)ccc2cc(O)cc(O)c12)(C(C)C)C(C)C

Melting Point :—

InChI Key : :DETCTLSFNWSZRH-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

✗ FAIL

MW ≤ 500 Da✓ 358.5 Da

LogP ≤ 5✗ 5.96

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

65/100

Moderate — typical building block

Predicted LogP

5.96log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 40.5Å² · 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.