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2-bromo-N-(2-bromophenyl)aniline

CAS No.：
Cat. No.: SC21138
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Product Name :2-bromo-N-(2-bromophenyl)aniline
Cat. No.: :SC21138
Purity / Specification :—
CAS No. :67242-17-5
MDL No. :MFCD00032460
Molecular Formula :C12H9Br2N
LogP :4.80
Molecular Weight :327.02
TPSA :12.0
Category :Building Blocks
HSN Code :—
SMILES Code :Brc1ccccc1Nc1ccccc1Br
Melting Point :—
InChI Key : :BJPIBICIVXDVHC-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

i
✓ PASS
MW ≤ 500 Da✓ 327.0 Da
LogP ≤ 5✓ 4.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

i
61/100

Moderate — typical building block

Predicted LogP

i
4.80log units

Lipophilic

CNS Permeability

i

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 12.0Ų · 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.