6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one

CAS No.：

Cat. No.: SC251288

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Product Name :6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one

Cat. No.: :SC251288

Purity / Specification :—

CAS No. :1310405-04-9

MDL No. :—

Molecular Formula :C₁₁H₁₆BNO₃

LogP :0.67

Molecular Weight :221.06

TPSA :47.6

Category :CRO / Contract Research

HSN Code :—

SMILES Code :B1(OC(C(O1)(C)C)(C)C)C2=CC=CC(=O)N2

Melting Point :—

InChI Key : :MKKJTADNAAPSQP-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✓ 221.1 Da

LogP ≤ 5✓ 0.67

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

73/100

Good drug-like profile

Predicted LogP

0.67log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 47.6Å² · 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.