2,3,6-Trifluorophenylboronic acid
TL;DR: 2,3,6-Trifluorophenylboronic acid (CAS 946683-58-5) is a chemical compound with molecular formula C6H4BF3O2 and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,6-trifluorophenyl)boronic acid
Also Known As: 2,3,6-Trifluorophenylboronic acid, (2,3,6-trifluorophenyl)boronic Acid, null, Z-GLY-GLN-OH, 2,3,6-Trifluorobenzeneboronic acid
| Molecular Formula | C6H4BF3O2 |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | -0.2163 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02565 |
| Heavy Atoms | 12 |
| Complexity | 303.0898 |
Chemical Identifiers
| CAS Number | 946683-58-5 |
|---|---|
| SMILES | B(C1=C(C=CC(=C1F)F)F)(O)O |
Product Overview
2,3,6-Trifluorophenylboronic acid (CAS 946683-58-5), with molecular formula C6H4BF3O2 and molecular weight 176.03 g/mol. IUPAC: (2,3,6-trifluorophenyl)boronic acid.
Chemical Property Profile of 2,3,6-Trifluorophenylboronic acid
Property Insights of 2,3,6-Trifluorophenylboronic acid
The XLogP value of -0.2163 indicates that 2,3,6-Trifluorophenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.46 Ų, 2,3,6-Trifluorophenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trifluorophenylboronic acid has 2 hydrogen bond donor(s) and 2 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 2,3,6-Trifluorophenylboronic acid?
The CAS number of 2,3,6-Trifluorophenylboronic acid is 946683-58-5.
What is the molecular formula of 2,3,6-Trifluorophenylboronic acid?
The molecular formula of 2,3,6-Trifluorophenylboronic acid is C6H4BF3O2.
What is the molecular weight of 2,3,6-Trifluorophenylboronic acid?
The molecular weight of 2,3,6-Trifluorophenylboronic acid is 176.03 g/mol.
Where can I buy 2,3,6-Trifluorophenylboronic acid?
You can request a quote for 2,3,6-Trifluorophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trifluorophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trifluorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.