N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester
TL;DR: N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester (CAS 450368-25-9) is a chemical compound with molecular formula C16H28BNO4 and molecular weight 309.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester, tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate, Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate, N-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester, 1-N-BOC-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINE
| Molecular Formula | C16H28BNO4 |
|---|---|
| Molecular Weight | 309.21 g/mol |
| LogP | 3.185 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.21115 |
| Heavy Atoms | 22 |
| Complexity | 463.0277 |
Chemical Identifiers
| CAS Number | 450368-25-9 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)OC(C)(C)C |
Product Overview
N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester (CAS 450368-25-9), with molecular formula C16H28BNO4 and molecular weight 309.21 g/mol. IUPAC: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
Chemical Property Profile of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester
Property Insights of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester
The XLogP value of 3.185 indicates that N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?
The CAS number of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester is 450368-25-9.
What is the molecular formula of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?
The molecular formula of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester is C16H28BNO4.
What is the molecular weight of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?
The molecular weight of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester is 309.21 g/mol.
Where can I buy N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?
You can request a quote for N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.