Tert-butyl 4-(4-chloro-2-fluorophenyl)piperazine-1-carboxylate

CAS No.：

Cat. No.: SC251362

Available on Request

Price on Request

Bulk Inquiry

Product Name :Tert-butyl 4-(4-chloro-2-fluorophenyl)piperazine-1-carboxylate

Cat. No.: :SC251362

Purity / Specification :—

CAS No. :945422-81-1

MDL No. :MFCD11872553

Molecular Formula :C₁₅H₂₀ClFN₂O₂

LogP :3.40

Molecular Weight :314.79

TPSA :32.8

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2F)CC1

Melting Point :—

InChI Key : :GNUHDAKKEDREMW-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✓ 314.8 Da

LogP ≤ 5✓ 3.40

HBD ≤ 5✓ 0

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

86/100

Excellent drug-like profile

Predicted LogP

3.40log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 32.8Å² · 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.