2-(Trifluoromethoxy)phenylboronic acid, pinacol ester
TL;DR: 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester (CAS 832114-04-2) is a chemical compound with molecular formula C13H16BF3O3 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
Also Known As: 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane, 1,3,6,8-tetraphenylpyrene, 4,4,5,5-Tetramethyl-2-(2-trifluoromethoxyphenyl)-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane, 2-(Trifluoromethoxy)phenylboronic acid pinacol ester
| Molecular Formula | C13H16BF3O3 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 2.8844 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.11447 |
| Heavy Atoms | 20 |
| Complexity | 483.8799 |
Chemical Identifiers
| CAS Number | 832114-04-2 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(F)(F)F |
Product Overview
2-(Trifluoromethoxy)phenylboronic acid, pinacol ester (CAS 832114-04-2), with molecular formula C13H16BF3O3 and molecular weight 288.11 g/mol. IUPAC: 4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane.
Chemical Property Profile of 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester
Property Insights of 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester
The XLogP value of 2.8844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester. With a topological polar surface area (TPSA) of 27.69 Ų, 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester has 0 hydrogen bond donor(s) and 3 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 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester?
The CAS number of 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester is 832114-04-2.
What is the molecular formula of 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester?
The molecular formula of 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester is C13H16BF3O3.
What is the molecular weight of 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester?
The molecular weight of 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester is 288.11 g/mol.
Where can I buy 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester?
You can request a quote for 2-(Trifluoromethoxy)phenylboronic 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 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethoxy)phenylboronic acid, pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.