Tert-butyl N-[C-(2-aminoethyl)carbonimidoyl]carbamate

CAS No.：

Cat. No.: SC251363

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Product Name :Tert-butyl N-[C-(2-aminoethyl)carbonimidoyl]carbamate

Cat. No.: :SC251363

Purity / Specification :—

CAS No. :2273862-16-9

MDL No. :—

Molecular Formula :C₁₄H₂₁N₃O₂

LogP :2.04

Molecular Weight :263.34

TPSA :88.2

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)NC(=N)c1ccc(CCN)cc1

Melting Point :—

InChI Key : :UCXMDYAYAJGXAX-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✓ 263.3 Da

LogP ≤ 5✓ 2.04

HBD ≤ 5✓ 3

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

84/100

Good drug-like profile

Predicted LogP

2.04log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 88.2Å² · 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.