2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TL;DR: 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1073354-07-0) is a chemical compound with molecular formula C13H19BO2 and molecular weight 218.14781 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Also Known As: Benzylboronic acid pinacol ester, 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, benzylboronic pinacol ester, benzyl boronic acid pinacol ester, Benzylboronic acid, pinacol ester
Technical Specifications
| Molecular Formula | C13H19BO2 |
| Molecular Weight | 218.14781 g/mol |
| XLogP | 2.8605 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.14781 Da |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2 |
| InChIKey | YCNQPAVKQPLZRS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Property Insights of 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
The XLogP value of 2.8605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The CAS number of 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is 1073354-07-0.
What is the molecular formula of 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The molecular formula of 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C13H19BO2.
What is the molecular weight of 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The molecular weight of 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is 218.14781 g/mol.
Where can I buy 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
You can request a quote for 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
Yes, CoreyChem provides custom synthesis services for 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.