2-Benzyloxy-4-fluorophenylboronic acid
TL;DR: 2-Benzyloxy-4-fluorophenylboronic acid (CAS 166744-78-1) is a chemical compound with molecular formula C13H12BFO3 and molecular weight 246.08635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-fluoro-2-phenylmethoxyphenyl)boronic acid
Also Known As: 2-Benzyloxy-4-fluorophenylboronic acid, (2-(Benzyloxy)-4-fluorophenyl)boronic acid, 2-Benzyloxy-4-fluorobenzeneboronic Acid, akos brn-0217, 2-(benzyloxy)-4-fluorophenylboronic acid
Technical Specifications
| Molecular Formula | C13H12BFO3 |
| Molecular Weight | 246.08635 g/mol |
| XLogP | 1.0845 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.08635 Da |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
| SMILES | B(C1=C(C=C(C=C1)F)OCC2=CC=CC=C2)(O)O |
| InChIKey | IFPQNCKVOQKEIU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzyloxy-4-fluorophenylboronic acid
Property Insights of 2-Benzyloxy-4-fluorophenylboronic acid
The XLogP value of 1.0845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyloxy-4-fluorophenylboronic acid. With a topological polar surface area (TPSA) of 49.7 Ų, 2-Benzyloxy-4-fluorophenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyloxy-4-fluorophenylboronic acid has 2 hydrogen bond donor(s) and 4 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-Benzyloxy-4-fluorophenylboronic acid?
The CAS number of 2-Benzyloxy-4-fluorophenylboronic acid is 166744-78-1.
What is the molecular formula of 2-Benzyloxy-4-fluorophenylboronic acid?
The molecular formula of 2-Benzyloxy-4-fluorophenylboronic acid is C13H12BFO3.
What is the molecular weight of 2-Benzyloxy-4-fluorophenylboronic acid?
The molecular weight of 2-Benzyloxy-4-fluorophenylboronic acid is 246.08635 g/mol.
Where can I buy 2-Benzyloxy-4-fluorophenylboronic acid?
You can request a quote for 2-Benzyloxy-4-fluorophenylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzyloxy-4-fluorophenylboronic acid?
Yes, CoreyChem provides custom synthesis services for 2-Benzyloxy-4-fluorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.