3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid
TL;DR: 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid (CAS 5083-04-5) is a chemical compound with molecular formula C8H8BFO4 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluoro-4-methoxycarbonylphenyl)boronic acid
Also Known As: 3-Fluoro-4-methoxycarbonylphenylboronic acid, 3-fluoro-4-(methoxycarbonyl)phenylboronic acid, (3-Fluoro-4-(methoxycarbonyl)phenyl)boronic acid, 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid, Methyl 4-borono-2-fluorobenzoate
| Molecular Formula | C8H8BFO4 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | -0.7079 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04997 |
| Heavy Atoms | 14 |
| Complexity | 353.19455 |
Chemical Identifiers
| CAS Number | 5083-04-5 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O |
Product Overview
3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid (CAS 5083-04-5), with molecular formula C8H8BFO4 and molecular weight 198.05 g/mol. IUPAC: (3-fluoro-4-methoxycarbonylphenyl)boronic acid.
Chemical Property Profile of 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid
Property Insights of 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid
The XLogP value of -0.7079 indicates that 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid. Following Lipinski's Rule of Five, 3-Fluoro-4-(methoxycarbonyl)benzeneboronic 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
Frequently Asked Questions
What is the CAS number of 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid?
The CAS number of 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid is 5083-04-5.
What is the molecular formula of 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid?
The molecular formula of 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid is C8H8BFO4.
What is the molecular weight of 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid?
The molecular weight of 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid is 198.05 g/mol.
Where can I buy 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid?
You can request a quote for 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.