5-Cyano-2-fluorobenzeneboronic acid
TL;DR: 5-Cyano-2-fluorobenzeneboronic acid (CAS 468718-30-1) is a chemical compound with molecular formula C7H5BFNO2 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-cyano-2-fluorophenyl)boronic acid
Also Known As: 5-Cyano-2-Fluorobenzeneboronic Acid, 5-CYANO-2-FLUOROPHENYLBORONIC ACID, (5-cyano-2-fluorophenyl)boronic acid, 2-Hexylcyclobutanone, 3-Borono-4-fluorobenzonitrile
| Molecular Formula | C7H5BFNO2 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | -0.62282 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.03973 |
| Heavy Atoms | 12 |
| Complexity | 334.66852 |
Chemical Identifiers
| CAS Number | 468718-30-1 |
|---|---|
| SMILES | B(C1=C(C=CC(=C1)C#N)F)(O)O |
Product Overview
5-Cyano-2-fluorobenzeneboronic acid (CAS 468718-30-1), with molecular formula C7H5BFNO2 and molecular weight 165.04 g/mol. IUPAC: (5-cyano-2-fluorophenyl)boronic acid.
Chemical Property Profile of 5-Cyano-2-fluorobenzeneboronic acid
Property Insights of 5-Cyano-2-fluorobenzeneboronic acid
The XLogP value of -0.62282 indicates that 5-Cyano-2-fluorobenzeneboronic 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 5-Cyano-2-fluorobenzeneboronic acid. Following Lipinski's Rule of Five, 5-Cyano-2-fluorobenzeneboronic 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 5-Cyano-2-fluorobenzeneboronic acid?
The CAS number of 5-Cyano-2-fluorobenzeneboronic acid is 468718-30-1.
What is the molecular formula of 5-Cyano-2-fluorobenzeneboronic acid?
The molecular formula of 5-Cyano-2-fluorobenzeneboronic acid is C7H5BFNO2.
What is the molecular weight of 5-Cyano-2-fluorobenzeneboronic acid?
The molecular weight of 5-Cyano-2-fluorobenzeneboronic acid is 165.04 g/mol.
Where can I buy 5-Cyano-2-fluorobenzeneboronic acid?
You can request a quote for 5-Cyano-2-fluorobenzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-2-fluorobenzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-2-fluorobenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.