4-(2-Carboxyethyl)benzeneboronic acid
TL;DR: 4-(2-Carboxyethyl)benzeneboronic acid (CAS 166316-48-9) is a chemical compound with molecular formula C9H11BO4 and molecular weight 194.07504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-boronophenyl)propanoic acid
Also Known As: 3-(4-boronophenyl)propanoic Acid, 4-(2-Carboxyethyl)benzeneboronic acid, 4-(2-Carboxyethyl)phenylboronic acid, 4-Boronobenzenepropanoic acid, 3-(4-Boronophenyl)propionic acid
Technical Specifications
| Molecular Formula | C9H11BO4 |
| Molecular Weight | 194.07504 g/mol |
| XLogP | -0.6164 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.07504 Da |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
| SMILES | B(C1=CC=C(C=C1)CCC(=O)O)(O)O |
| InChIKey | VPSARXNVXCRDIV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Carboxyethyl)benzeneboronic acid
Property Insights of 4-(2-Carboxyethyl)benzeneboronic acid
The XLogP value of -0.6164 indicates that 4-(2-Carboxyethyl)benzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Carboxyethyl)benzeneboronic acid. Following Lipinski's Rule of Five, 4-(2-Carboxyethyl)benzeneboronic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2-Carboxyethyl)benzeneboronic acid?
The CAS number of 4-(2-Carboxyethyl)benzeneboronic acid is 166316-48-9.
What is the molecular formula of 4-(2-Carboxyethyl)benzeneboronic acid?
The molecular formula of 4-(2-Carboxyethyl)benzeneboronic acid is C9H11BO4.
What is the molecular weight of 4-(2-Carboxyethyl)benzeneboronic acid?
The molecular weight of 4-(2-Carboxyethyl)benzeneboronic acid is 194.07504 g/mol.
Where can I buy 4-(2-Carboxyethyl)benzeneboronic acid?
You can request a quote for 4-(2-Carboxyethyl)benzeneboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Carboxyethyl)benzeneboronic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Carboxyethyl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.