4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid
TL;DR: 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid (CAS 1217501-08-0) is a chemical compound with molecular formula C11H13BO4 and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid
Also Known As: Ethyl 4-boronocinnamate, (E)-(4-(3-ethoxy-3-oxoprop-1-en-1-yl)phenyl)boronic acid, 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)phenylboronic acid, 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid, 4-(TRANS-3-ETHOXY-3-OXO-1-P 1G.
| Molecular Formula | C11H13BO4 |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | -0.0573 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.09068 |
| Heavy Atoms | 16 |
| Complexity | 370.07587 |
Chemical Identifiers
| CAS Number | 1217501-08-0 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)/C=C/C(=O)OCC)(O)O |
Product Overview
4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid (CAS 1217501-08-0), with molecular formula C11H13BO4 and molecular weight 220.09 g/mol. IUPAC: [4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid.
Chemical Property Profile of 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid
Property Insights of 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid
The XLogP value of -0.0573 indicates that 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)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 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid. Following Lipinski's Rule of Five, 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)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 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid?
The CAS number of 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid is 1217501-08-0.
What is the molecular formula of 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid?
The molecular formula of 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid is C11H13BO4.
What is the molecular weight of 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid?
The molecular weight of 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid is 220.09 g/mol.
Where can I buy 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid?
You can request a quote for 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.