3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid
TL;DR: 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid (CAS 762262-11-3) is a chemical compound with molecular formula C10H11BN2O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-cyanoethylcarbamoyl)phenyl]boronic acid
Also Known As: (3-((2-Cyanoethyl)carbamoyl)phenyl)boronic acid, 3-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID, 3- phenylboronicacid, [3-(2-cyanoethylcarbamoyl)phenyl]boronic Acid, {3-[(2-cyanoethyl)carbamoyl]phenyl}boronic acid
| Molecular Formula | C10H11BN2O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | -0.99012 |
| Topological Polar Surface Area | 93.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.08627 |
| Heavy Atoms | 16 |
| Complexity | 414.77032 |
Chemical Identifiers
| CAS Number | 762262-11-3 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C(=O)NCCC#N)(O)O |
Product Overview
3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid (CAS 762262-11-3), with molecular formula C10H11BN2O3 and molecular weight 218.09 g/mol. IUPAC: [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid.
Chemical Property Profile of 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid
Property Insights of 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid
The XLogP value of -0.99012 indicates that 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid. Following Lipinski's Rule of Five, 3-(2-Cyanoethylaminocarbonyl)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
Frequently Asked Questions
What is the CAS number of 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid?
The CAS number of 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid is 762262-11-3.
What is the molecular formula of 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid?
The molecular formula of 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid is C10H11BN2O3.
What is the molecular weight of 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid?
The molecular weight of 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid is 218.09 g/mol.
Where can I buy 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid?
You can request a quote for 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.