3-(4-Boronophenyl)-2-propenoic acid
TL;DR: 3-(4-Boronophenyl)-2-propenoic acid (CAS 159896-15-8) is a chemical compound with molecular formula C9H9BO4 and molecular weight 192.05939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-boronophenyl)prop-2-enoic acid
Also Known As: 3-(4-Boronophenyl)Acrylic Acid, (E)-3-(4-Boronophenyl)acrylic acid, 3-(4-boronophenyl)-2-propenoic acid, 3-(4-boronophenyl)prop-2-enoic acid, 4-(E-2-Carboxyvinyl)phenylboronic acid
Technical Specifications
| Molecular Formula | C9H9BO4 |
| Molecular Weight | 192.05939 g/mol |
| XLogP | -0.5358 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.05939 Da |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| SMILES | B(C1=CC=C(C=C1)C=CC(=O)O)(O)O |
| InChIKey | IEMLKNHGGSYOMP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Boronophenyl)-2-propenoic acid
Property Insights of 3-(4-Boronophenyl)-2-propenoic acid
The XLogP value of -0.5358 indicates that 3-(4-Boronophenyl)-2-propenoic 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 3-(4-Boronophenyl)-2-propenoic acid. Following Lipinski's Rule of Five, 3-(4-Boronophenyl)-2-propenoic 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 3-(4-Boronophenyl)-2-propenoic acid?
The CAS number of 3-(4-Boronophenyl)-2-propenoic acid is 159896-15-8.
What is the molecular formula of 3-(4-Boronophenyl)-2-propenoic acid?
The molecular formula of 3-(4-Boronophenyl)-2-propenoic acid is C9H9BO4.
What is the molecular weight of 3-(4-Boronophenyl)-2-propenoic acid?
The molecular weight of 3-(4-Boronophenyl)-2-propenoic acid is 192.05939 g/mol.
Where can I buy 3-(4-Boronophenyl)-2-propenoic acid?
You can request a quote for 3-(4-Boronophenyl)-2-propenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Boronophenyl)-2-propenoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Boronophenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.