5-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

CAS No.：

Cat. No.: SC23513

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Product Name :5-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Cat. No.: :SC23513

Purity / Specification :—

CAS No. :652148-98-6

MDL No. :MFCD09952048

Molecular Formula :C₁₁H₁₅BBrNO₂

LogP :2.14

Molecular Weight :283.96

TPSA :31.4

Category :Building Blocks

HSN Code :—

SMILES Code :CC1(C)OB(c2ccc(Br)cn2)OC1(C)C

Melting Point :—

InChI Key : :IEIMZGXYHAJOOT-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✓ 284.0 Da

LogP ≤ 5✓ 2.14

HBD ≤ 5✓ 0

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

89/100

Excellent drug-like profile

Predicted LogP

2.14log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 31.4Å² · 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.