2,3,4,5,6-Pentafluorobenzeneboronic acid
TL;DR: 2,3,4,5,6-Pentafluorobenzeneboronic acid (CAS 116332-54-8) is a chemical compound with molecular formula C6H2BF5O2 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl)boronic acid
Also Known As: Pentafluorophenylboronic acid, Perfluorophenylboronic acid, 2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID, Pentafluorobenzeneboronic acid, (pentafluorophenyl)boronic acid
| Molecular Formula | C6H2BF5O2 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 0.0619 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.0068 |
| Heavy Atoms | 14 |
| Complexity | 351.97 |
Chemical Identifiers
| CAS Number | 116332-54-8 |
|---|---|
| SMILES | B(C1=C(C(=C(C(=C1F)F)F)F)F)(O)O |
Product Overview
2,3,4,5,6-Pentafluorobenzeneboronic acid (CAS 116332-54-8), with molecular formula C6H2BF5O2 and molecular weight 212.01 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl)boronic acid.
Chemical Property Profile of 2,3,4,5,6-Pentafluorobenzeneboronic acid
Property Insights of 2,3,4,5,6-Pentafluorobenzeneboronic acid
The XLogP value of 0.0619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5,6-Pentafluorobenzeneboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 2,3,4,5,6-Pentafluorobenzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorobenzeneboronic 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 2,3,4,5,6-Pentafluorobenzeneboronic acid?
The CAS number of 2,3,4,5,6-Pentafluorobenzeneboronic acid is 116332-54-8.
What is the molecular formula of 2,3,4,5,6-Pentafluorobenzeneboronic acid?
The molecular formula of 2,3,4,5,6-Pentafluorobenzeneboronic acid is C6H2BF5O2.
What is the molecular weight of 2,3,4,5,6-Pentafluorobenzeneboronic acid?
The molecular weight of 2,3,4,5,6-Pentafluorobenzeneboronic acid is 212.01 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorobenzeneboronic acid?
You can request a quote for 2,3,4,5,6-Pentafluorobenzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentafluorobenzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorobenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.