Tert-butyl N-(2-bromoethyl)-N-cyclopropylcarbamate

CAS No.：

Cat. No.: SC261765

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Product Name :Tert-butyl N-(2-bromoethyl)-N-cyclopropylcarbamate

Cat. No.: :SC261765

Purity / Specification :—

CAS No. :1511776-27-4

MDL No. :—

Molecular Formula :C₁₀H₁₈BrNO₂

LogP :2.40

Molecular Weight :264.16

TPSA :29.5

Category :Drug Discovery

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)N(CCBr)C1CC1

Melting Point :—

InChI Key : :BRGIWOJOWAWNFB-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✓ 264.2 Da

LogP ≤ 5✓ 2.40

HBD ≤ 5✓ 0

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

83/100

Good drug-like profile

Predicted LogP

2.40log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 29.5Å² · 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.