3-(N-Ethylaminocarbonyl)phenylboronic acid
TL;DR: 3-(N-Ethylaminocarbonyl)phenylboronic acid (CAS 42982-49-0) is a chemical compound with molecular formula C9H12BNO3 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(ethylcarbamoyl)phenyl]boronic acid
Also Known As: 3-(N-Ethylaminocarbonyl)phenylboronic acid, [3-(ethylcarbamoyl)phenyl]boronic Acid, 3-(ethylcarbamoyl)phenylboronic acid, 3-(Ethylcarbamoyl)benzeneboronic acid, 3-(N-Ethylaminocarbonyl)benzeneboronic acid
| Molecular Formula | C9H12BNO3 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | -0.8839 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.09102 |
| Heavy Atoms | 14 |
| Complexity | 327.58804 |
Chemical Identifiers
| CAS Number | 42982-49-0 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C(=O)NCC)(O)O |
Product Overview
3-(N-Ethylaminocarbonyl)phenylboronic acid (CAS 42982-49-0), with molecular formula C9H12BNO3 and molecular weight 193.09 g/mol. IUPAC: [3-(ethylcarbamoyl)phenyl]boronic acid.
Chemical Property Profile of 3-(N-Ethylaminocarbonyl)phenylboronic acid
Property Insights of 3-(N-Ethylaminocarbonyl)phenylboronic acid
The XLogP value of -0.8839 indicates that 3-(N-Ethylaminocarbonyl)phenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-Ethylaminocarbonyl)phenylboronic acid. Following Lipinski's Rule of Five, 3-(N-Ethylaminocarbonyl)phenylboronic acid has 3 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-Ethylaminocarbonyl)phenylboronic acid?
The CAS number of 3-(N-Ethylaminocarbonyl)phenylboronic acid is 42982-49-0.
What is the molecular formula of 3-(N-Ethylaminocarbonyl)phenylboronic acid?
The molecular formula of 3-(N-Ethylaminocarbonyl)phenylboronic acid is C9H12BNO3.
What is the molecular weight of 3-(N-Ethylaminocarbonyl)phenylboronic acid?
The molecular weight of 3-(N-Ethylaminocarbonyl)phenylboronic acid is 193.09 g/mol.
Where can I buy 3-(N-Ethylaminocarbonyl)phenylboronic acid?
You can request a quote for 3-(N-Ethylaminocarbonyl)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-Ethylaminocarbonyl)phenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-Ethylaminocarbonyl)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.