2,2-dimethyl-2,4-diaza-1-silaspiro[2.2]pentane

CAS No.：

Cat. No.: SC21143

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Product Name :2,2-dimethyl-2,4-diaza-1-silaspiro[2.2]pentane

Cat. No.: :SC21143

Purity / Specification :—

CAS No. :89590-57-8

MDL No. :—

Molecular Formula :C₁₄H₁₅NSi

LogP :2.57

Molecular Weight :225.37

TPSA :12.0

Category :Building Blocks

HSN Code :—

SMILES Code :C[Si]1(C)c2ccccc2Nc2ccccc21

Melting Point :—

InChI Key : :OKLQZBVYSZCZFE-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✓ 225.4 Da

LogP ≤ 5✓ 2.57

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

70/100

Good drug-like profile

Predicted LogP

2.57log units

Optimal range (0–3)

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.