Tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
CAS No.：
Cat. No.: SC24560
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Product Name :Tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
Cat. No.: :SC24560
Purity / Specification :—
CAS No. :910462-31-6
MDL No. :MFCD0778116
Molecular Formula :C16H25BN2O4
LogP :2.73
Molecular Weight :320.20
TPSA :69.7
Category :API Intermediates
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1
Melting Point :—
InChI Key : :USZVCDRKIVKICD-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 320.2 Da
LogP ≤ 5✓ 2.73
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i97/100
Excellent drug-like profile
Predicted LogP
i2.73log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 69.7Ų · 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.