3-(N,N-Diethylaminocarbonyl)phenylboronic acid
TL;DR: 3-(N,N-Diethylaminocarbonyl)phenylboronic acid (CAS 237413-05-7) is a chemical compound with molecular formula C11H16BNO3 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(diethylcarbamoyl)phenyl]boronic acid
Also Known As: 3-(N,N-Diethylaminocarbonyl)phenylboronic acid, (3-(Diethylcarbamoyl)phenyl)boronic acid, 3-(diethylcarbamoyl)phenylboronic acid, [3-(diethylcarbamoyl)phenyl]boronic Acid, N,N-Diethyl 3-boronobenzamide
| Molecular Formula | C11H16BNO3 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | -0.1516 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.12233 |
| Heavy Atoms | 16 |
| Complexity | 364.00223 |
Chemical Identifiers
| CAS Number | 237413-05-7 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C(=O)N(CC)CC)(O)O |
Product Overview
3-(N,N-Diethylaminocarbonyl)phenylboronic acid (CAS 237413-05-7), with molecular formula C11H16BNO3 and molecular weight 221.12 g/mol. IUPAC: [3-(diethylcarbamoyl)phenyl]boronic acid.
Chemical Property Profile of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid
Property Insights of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid
The XLogP value of -0.1516 indicates that 3-(N,N-Diethylaminocarbonyl)phenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N,N-Diethylaminocarbonyl)phenylboronic acid. Following Lipinski's Rule of Five, 3-(N,N-Diethylaminocarbonyl)phenylboronic 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
Frequently Asked Questions
What is the CAS number of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid?
The CAS number of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid is 237413-05-7.
What is the molecular formula of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid?
The molecular formula of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid is C11H16BNO3.
What is the molecular weight of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid?
The molecular weight of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid is 221.12 g/mol.
Where can I buy 3-(N,N-Diethylaminocarbonyl)phenylboronic acid?
You can request a quote for 3-(N,N-Diethylaminocarbonyl)phenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N,N-Diethylaminocarbonyl)phenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N,N-Diethylaminocarbonyl)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.