Methyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate

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Cat. No.: SC261682

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Product Name :Methyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate

Cat. No.: :SC261682

Purity / Specification :—

CAS No. :1073372-02-7

MDL No. :—

Molecular Formula :C₁₃H₁₉BN₂O₄

LogP :1.56

Molecular Weight :278.12

TPSA :69.7

Category :Drug Discovery

HSN Code :—

SMILES Code :B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC(=O)OC

Melting Point :—

InChI Key : :QDYHEIDRTYYVQI-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✓ 278.1 Da

LogP ≤ 5✓ 1.56

HBD ≤ 5✓ 1

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

91/100

Excellent drug-like profile

Predicted LogP

1.56log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 69.7Å² · 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.