4-Ethoxycarbonyl-3-fluorophenylboronic acid
TL;DR: 4-Ethoxycarbonyl-3-fluorophenylboronic acid (CAS 874288-38-7) is a chemical compound with molecular formula C9H10BFO4 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxycarbonyl-3-fluorophenyl)boronic acid
Also Known As: 4-Ethoxycarbonyl-3-fluorophenylboronic acid, 4-(Ethoxycarbonyl)-3-fluorophenylboronic acid, Ethyl 4-borono-2-fluorobenzoate, 4-(Ethoxycarbonyl)-3-fluorobenzeneboronic acid, (4-ethoxycarbonyl-3-fluorophenyl)boronic acid
| Molecular Formula | C9H10BFO4 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | -0.3178 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06561 |
| Heavy Atoms | 15 |
| Complexity | 367.13 |
Chemical Identifiers
| CAS Number | 874288-38-7 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)C(=O)OCC)F)(O)O |
Product Overview
4-Ethoxycarbonyl-3-fluorophenylboronic acid (CAS 874288-38-7), with molecular formula C9H10BFO4 and molecular weight 212.07 g/mol. IUPAC: (4-ethoxycarbonyl-3-fluorophenyl)boronic acid.
Chemical Property Profile of 4-Ethoxycarbonyl-3-fluorophenylboronic acid
Property Insights of 4-Ethoxycarbonyl-3-fluorophenylboronic acid
The XLogP value of -0.3178 indicates that 4-Ethoxycarbonyl-3-fluorophenylboronic 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 4-Ethoxycarbonyl-3-fluorophenylboronic acid. Following Lipinski's Rule of Five, 4-Ethoxycarbonyl-3-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
Frequently Asked Questions
What is the CAS number of 4-Ethoxycarbonyl-3-fluorophenylboronic acid?
The CAS number of 4-Ethoxycarbonyl-3-fluorophenylboronic acid is 874288-38-7.
What is the molecular formula of 4-Ethoxycarbonyl-3-fluorophenylboronic acid?
The molecular formula of 4-Ethoxycarbonyl-3-fluorophenylboronic acid is C9H10BFO4.
What is the molecular weight of 4-Ethoxycarbonyl-3-fluorophenylboronic acid?
The molecular weight of 4-Ethoxycarbonyl-3-fluorophenylboronic acid is 212.07 g/mol.
Where can I buy 4-Ethoxycarbonyl-3-fluorophenylboronic acid?
You can request a quote for 4-Ethoxycarbonyl-3-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-Ethoxycarbonyl-3-fluorophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxycarbonyl-3-fluorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.