N-[amino-[1-[1-methyl-1-(2-trimethylsilylethoxymethyl)ethylidene]-2-methylidene-cyclopropylidene]methyl]-3-[amino(dicyclopropylmethyl)silyl]propane-1-carboxamide

CAS No.：

Cat. No.: SC261820

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Product Name :N-[amino-[1-[1-methyl-1-(2-trimethylsilylethoxymethyl)ethylidene]-2-methylidene-cyclopropylidene]methyl]-3-[amino(dicyclopropylmethyl)silyl]propane-1-carboxamide

Cat. No.: :SC261820

Purity / Specification :—

CAS No. :2755148-67-3

MDL No. :—

Molecular Formula :C₂₆H₄₁ClN₄O₂Si

LogP :5.60

Molecular Weight :505.18

TPSA :82.2

Category :Drug Discovery

HSN Code :—

SMILES Code :Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cc1.Cl

Melting Point :—

InChI Key : :BLVOCYPYENEOFQ-UQIIZPHYSA-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✗ 505.2 Da

LogP ≤ 5✗ 5.60

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

50/100

Fragment / low drug-likeness

Predicted LogP

5.60log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 82.2Å² · 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.