3-(2-Carboxyethyl)phenylboronic acid
TL;DR: 3-(2-Carboxyethyl)phenylboronic acid (CAS 216144-91-1) is a chemical compound with molecular formula C9H11BO4 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-boronophenyl)propanoic acid
Also Known As: 3-(3-boronophenyl)propanoic Acid, 3- propionicacid, 3-(2-CARBOXYETHYL)PHENYLBORONIC ACID, 3-(3-Boronophenyl)propionic acid, [3-(2-carboxyethyl)phenyl]boronic acid
| Molecular Formula | C9H11BO4 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | -0.6164 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.07504 |
| Heavy Atoms | 14 |
| Complexity | 324.34293 |
Chemical Identifiers
| CAS Number | 216144-91-1 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)CCC(=O)O)(O)O |
Product Overview
3-(2-Carboxyethyl)phenylboronic acid (CAS 216144-91-1), with molecular formula C9H11BO4 and molecular weight 194.08 g/mol. IUPAC: 3-(3-boronophenyl)propanoic acid.
Chemical Property Profile of 3-(2-Carboxyethyl)phenylboronic acid
Property Insights of 3-(2-Carboxyethyl)phenylboronic acid
The XLogP value of -0.6164 indicates that 3-(2-Carboxyethyl)phenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Carboxyethyl)phenylboronic acid. Following Lipinski's Rule of Five, 3-(2-Carboxyethyl)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-(2-Carboxyethyl)phenylboronic acid?
The CAS number of 3-(2-Carboxyethyl)phenylboronic acid is 216144-91-1.
What is the molecular formula of 3-(2-Carboxyethyl)phenylboronic acid?
The molecular formula of 3-(2-Carboxyethyl)phenylboronic acid is C9H11BO4.
What is the molecular weight of 3-(2-Carboxyethyl)phenylboronic acid?
The molecular weight of 3-(2-Carboxyethyl)phenylboronic acid is 194.08 g/mol.
Where can I buy 3-(2-Carboxyethyl)phenylboronic acid?
You can request a quote for 3-(2-Carboxyethyl)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-(2-Carboxyethyl)phenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Carboxyethyl)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.