Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
TL;DR: Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate (CAS 741709-57-9) is a chemical compound with molecular formula C14H20BNO4 and molecular weight 277.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
Also Known As: ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate, Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate, 6-(Ethoxycarbonyl)pyridine-3-boronic acid pinacol ester, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinecarboxylic acid ethyl ester, Ethyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
| Molecular Formula | C14H20BNO4 |
|---|---|
| Molecular Weight | 277.15 g/mol |
| LogP | 1.5575 |
| Topological Polar Surface Area | 57.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.14853 |
| Heavy Atoms | 20 |
| Complexity | 482.4003 |
Chemical Identifiers
| CAS Number | 741709-57-9 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(=O)OCC |
Product Overview
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate (CAS 741709-57-9), with molecular formula C14H20BNO4 and molecular weight 277.15 g/mol. IUPAC: ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate.
Chemical Property Profile of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
Property Insights of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
The XLogP value of 1.5575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate. With a topological polar surface area (TPSA) of 57.65 Ų, Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate has 0 hydrogen bond donor(s) and 5 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 Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate?
The CAS number of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate is 741709-57-9.
What is the molecular formula of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate?
The molecular formula of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate is C14H20BNO4.
What is the molecular weight of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate?
The molecular weight of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate is 277.15 g/mol.
Where can I buy Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate?
You can request a quote for Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.