3-Cyanophenylboronic acid
TL;DR: 3-Cyanophenylboronic acid (CAS 150255-96-2) is a chemical compound with molecular formula C7H6BNO2 and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyanophenyl)boronic acid
Also Known As: 3-Cyanophenylboronic acid, (3-cyanophenyl)boronic Acid, 3-Cyanobenzeneboronic Acid, 3-Boronobenzonitrile, 3-Cyanophenylboronicacid
| Molecular Formula | C7H6BNO2 |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | -0.76192 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.04916 |
| Heavy Atoms | 11 |
| Complexity | 292.7372 |
Chemical Identifiers
| CAS Number | 150255-96-2 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C#N)(O)O |
Product Overview
3-Cyanophenylboronic acid (CAS 150255-96-2), with molecular formula C7H6BNO2 and molecular weight 147.05 g/mol. IUPAC: (3-cyanophenyl)boronic acid.
Chemical Property Profile of 3-Cyanophenylboronic acid
Property Insights of 3-Cyanophenylboronic acid
The XLogP value of -0.76192 indicates that 3-Cyanophenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyanophenylboronic acid. Following Lipinski's Rule of Five, 3-Cyanophenylboronic 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-Cyanophenylboronic acid?
The CAS number of 3-Cyanophenylboronic acid is 150255-96-2.
What is the molecular formula of 3-Cyanophenylboronic acid?
The molecular formula of 3-Cyanophenylboronic acid is C7H6BNO2.
What is the molecular weight of 3-Cyanophenylboronic acid?
The molecular weight of 3-Cyanophenylboronic acid is 147.05 g/mol.
Where can I buy 3-Cyanophenylboronic acid?
You can request a quote for 3-Cyanophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyanophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyanophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.