(2-(Diethylcarbamoyl)phenyl)boronic acid
TL;DR: (2-(Diethylcarbamoyl)phenyl)boronic acid (CAS 129112-21-6) is a chemical compound with molecular formula C11H16BNO3 and molecular weight 221.12233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(diethylcarbamoyl)phenyl]boronic acid
Also Known As: (2-(Diethylcarbamoyl)phenyl)boronic acid, D-Valine, [2-(diethylcarbamoyl)phenyl]boronic Acid, 2-(N,N-Diethylaminocarbonyl)phenylboronic acid, 2-(Diethylcarbamoyl)benzeneboronic acid
Technical Specifications
| Molecular Formula | C11H16BNO3 |
| Molecular Weight | 221.12233 g/mol |
| XLogP | -0.1516 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.12233 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| SMILES | B(C1=CC=CC=C1C(=O)N(CC)CC)(O)O |
| InChIKey | TULUDWZVHWOWHZ-UHFFFAOYSA-N |
Chemical Property Profile of (2-(Diethylcarbamoyl)phenyl)boronic acid
Property Insights of (2-(Diethylcarbamoyl)phenyl)boronic acid
The XLogP value of -0.1516 indicates that (2-(Diethylcarbamoyl)phenyl)boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-(Diethylcarbamoyl)phenyl)boronic acid. Following Lipinski's Rule of Five, (2-(Diethylcarbamoyl)phenyl)boronic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2-(Diethylcarbamoyl)phenyl)boronic acid?
The CAS number of (2-(Diethylcarbamoyl)phenyl)boronic acid is 129112-21-6.
What is the molecular formula of (2-(Diethylcarbamoyl)phenyl)boronic acid?
The molecular formula of (2-(Diethylcarbamoyl)phenyl)boronic acid is C11H16BNO3.
What is the molecular weight of (2-(Diethylcarbamoyl)phenyl)boronic acid?
The molecular weight of (2-(Diethylcarbamoyl)phenyl)boronic acid is 221.12233 g/mol.
Where can I buy (2-(Diethylcarbamoyl)phenyl)boronic acid?
You can request a quote for (2-(Diethylcarbamoyl)phenyl)boronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-(Diethylcarbamoyl)phenyl)boronic acid?
Yes, CoreyChem provides custom synthesis services for (2-(Diethylcarbamoyl)phenyl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.