2,2-dimethyl-2-(trifluoromethyl)-2,4-diaza-1-silatricyclo[3.1.0.03,5]hexane

CAS No.：

Cat. No.: SC21122

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Product Name :2,2-dimethyl-2-(trifluoromethyl)-2,4-diaza-1-silatricyclo[3.1.0.03,5]hexane

Cat. No.: :SC21122

Purity / Specification :—

CAS No. :1431621-20-3

MDL No. :—

Molecular Formula :C₁₅H₁₄F₃NSi

LogP :3.59

Molecular Weight :293.36

TPSA :12.0

Category :Drug Discovery

HSN Code :—

SMILES Code :C[Si]1(C)c2ccccc2Nc2cc(C(F)(F)F)ccc21

Melting Point :—

InChI Key : :NZAGIVZHVJBXHQ-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✓ 293.4 Da

LogP ≤ 5✓ 3.59

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

72/100

Good drug-like profile

Predicted LogP

3.59log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 12.0Å² · 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.