7-bromo-2,4-dichloro-8-fluoro-6-iodoquinazoline

CAS No.：

Cat. No.: SC25958

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Product Name :7-bromo-2,4-dichloro-8-fluoro-6-iodoquinazoline

Cat. No.: :SC25958

Purity / Specification :—

CAS No. :2241720-34-1

MDL No. :MFCD32879380

Molecular Formula :C₈HBrCl₂FIN₂

LogP :4.90

Molecular Weight :421.82

TPSA :25.8

Category :Building Blocks

HSN Code :—

SMILES Code :C1=C2C(=C(C(=C1I)Br)F)N=C(N=C2Cl)Cl

Melting Point :—

InChI Key : :IEHLGMIULROOSJ-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✓ 421.8 Da

LogP ≤ 5✓ 4.90

HBD ≤ 5✓ 0

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

63/100

Moderate — typical building block

Predicted LogP

4.90log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 25.8Å² · 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.