4-Bromo-3-fluorobenzeneboronic acid
TL;DR: 4-Bromo-3-fluorobenzeneboronic acid (CAS 374790-97-3) is a chemical compound with molecular formula C6H5BBrFO2 and molecular weight 217.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-3-fluorophenyl)boronic acid
Also Known As: 4-Bromo-3-fluorobenzeneboronic acid, 4-Bromo-3-fluorophenylboronic acid, (4-bromo-3-fluorophenyl)boronic acid, 4-Bromo-3-fluorobenzeneboronicacid, (4-bromo-3-fluoro-phenyl)boronic Acid
| Molecular Formula | C6H5BBrFO2 |
|---|---|
| Molecular Weight | 217.96 g/mol |
| LogP | 0.268 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.955 |
| Heavy Atoms | 11 |
| Complexity | 266.75925 |
Chemical Identifiers
| CAS Number | 374790-97-3 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)Br)F)(O)O |
Product Overview
4-Bromo-3-fluorobenzeneboronic acid (CAS 374790-97-3), with molecular formula C6H5BBrFO2 and molecular weight 217.96 g/mol. IUPAC: (4-bromo-3-fluorophenyl)boronic acid.
Chemical Property Profile of 4-Bromo-3-fluorobenzeneboronic acid
Property Insights of 4-Bromo-3-fluorobenzeneboronic acid
The XLogP value of 0.268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-fluorobenzeneboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 4-Bromo-3-fluorobenzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-fluorobenzeneboronic 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 4-Bromo-3-fluorobenzeneboronic acid?
The CAS number of 4-Bromo-3-fluorobenzeneboronic acid is 374790-97-3.
What is the molecular formula of 4-Bromo-3-fluorobenzeneboronic acid?
The molecular formula of 4-Bromo-3-fluorobenzeneboronic acid is C6H5BBrFO2.
What is the molecular weight of 4-Bromo-3-fluorobenzeneboronic acid?
The molecular weight of 4-Bromo-3-fluorobenzeneboronic acid is 217.96 g/mol.
Where can I buy 4-Bromo-3-fluorobenzeneboronic acid?
You can request a quote for 4-Bromo-3-fluorobenzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-fluorobenzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-fluorobenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.