3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol

CAS No.：

Cat. No.: SC23420

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Product Name :3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol

Cat. No.: :SC23420

Purity / Specification :—

CAS No. :56181-82-9

MDL No. :—

Molecular Formula :C₂₂H₁₉BrO

LogP :5.50

Molecular Weight :379.30

TPSA :20.2

Category :Building Blocks

HSN Code :—

SMILES Code :OC1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21

Melting Point :—

InChI Key : :LGYMGAWTNGCUFA-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

✗ FAIL

MW ≤ 500 Da✓ 379.3 Da

LogP ≤ 5✗ 5.50

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

59/100

Moderate — typical building block

Predicted LogP

5.50log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 20.2Å² · 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.