5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

CAS No.：

Cat. No.: SC25981

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Product Name :5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

Cat. No.: :SC25981

Purity / Specification :—

CAS No. :1294003-39-6

MDL No. :MFCD22573729

Molecular Formula :C₈H₈Cl₂FNO

LogP :2.29

Molecular Weight :224.06

TPSA :35.3

Category :Building Blocks

HSN Code :—

SMILES Code :C1C(C2=C(O1)C=CC(=C2F)Cl)N.Cl

Melting Point :—

InChI Key : :ZLFZKGBTMBGWEL-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✓ 224.1 Da

LogP ≤ 5✓ 2.29

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

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 35.3Å² · 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.