4-Benzyloxy-2-fluorophenylboronic acid
TL;DR: 4-Benzyloxy-2-fluorophenylboronic acid (CAS 946775-32-2) is a chemical compound with molecular formula C13H12BFO3 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-fluoro-4-phenylmethoxyphenyl)boronic acid
Also Known As: 4-Benzyloxy-2-fluorophenylboronic acid, 4-Benzyloxy-2-fluorobenzeneboronic acid, (4-(Benzyloxy)-2-fluorophenyl)boronic acid, 4-(benzyloxy)-2-fluorophenylboronic acid, akos brn-0077
| Molecular Formula | C13H12BFO3 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 1.0845 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.08635 |
| Heavy Atoms | 18 |
| Complexity | 516.8997 |
Chemical Identifiers
| CAS Number | 946775-32-2 |
|---|---|
| SMILES | B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)F)(O)O |
Product Overview
4-Benzyloxy-2-fluorophenylboronic acid (CAS 946775-32-2), with molecular formula C13H12BFO3 and molecular weight 246.09 g/mol. IUPAC: (2-fluoro-4-phenylmethoxyphenyl)boronic acid.
Chemical Property Profile of 4-Benzyloxy-2-fluorophenylboronic acid
Property Insights of 4-Benzyloxy-2-fluorophenylboronic acid
The XLogP value of 1.0845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyloxy-2-fluorophenylboronic acid. With a topological polar surface area (TPSA) of 49.69 Ų, 4-Benzyloxy-2-fluorophenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyloxy-2-fluorophenylboronic acid has 2 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 4-Benzyloxy-2-fluorophenylboronic acid?
The CAS number of 4-Benzyloxy-2-fluorophenylboronic acid is 946775-32-2.
What is the molecular formula of 4-Benzyloxy-2-fluorophenylboronic acid?
The molecular formula of 4-Benzyloxy-2-fluorophenylboronic acid is C13H12BFO3.
What is the molecular weight of 4-Benzyloxy-2-fluorophenylboronic acid?
The molecular weight of 4-Benzyloxy-2-fluorophenylboronic acid is 246.09 g/mol.
Where can I buy 4-Benzyloxy-2-fluorophenylboronic acid?
You can request a quote for 4-Benzyloxy-2-fluorophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxy-2-fluorophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxy-2-fluorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.