2-amino-1-(4-chlorophenyl)propan-1-one;hydrochloride

CAS No.：

Cat. No.: SC23248

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Product Name :2-amino-1-(4-chlorophenyl)propan-1-one;hydrochloride

Cat. No.: :SC23248

Purity / Specification :—

CAS No. :23184-97-6

MDL No. :MFCD01695371

Molecular Formula :C₉H₁₁Cl₂NO

LogP :2.29

Molecular Weight :220.09

TPSA :43.1

Category :Building Blocks

HSN Code :—

SMILES Code :CC(N)C(=O)c1ccc(Cl)cc1.Cl

Melting Point :—

InChI Key : :XAAMOOOAKCTFIG-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✓ 220.1 Da

LogP ≤ 5✓ 2.29

HBD ≤ 5✓ 2

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

77/100

Good drug-like profile

Predicted LogP

2.29log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 43.1Å² · 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.