3-Cyano-4-fluorophenylboronic acid
TL;DR: 3-Cyano-4-fluorophenylboronic acid (CAS 1810-72-6) 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.
(3-cyano-4-fluorophenyl)boronic acid
Also Known As: 3-Cyano-4-fluorophenylboronic acid, 3-cyano-4-fluorobenzeneboronic acid, (3-Cyano-4-fluorophenyl)boronic acid, (3-cyano-4-fluoro-phenyl)boronic Acid, 3-Cyano-4-fluorophneylboronic acid
| 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 | 1810-72-6 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)F)C#N)(O)O |
Product Overview
3-Cyano-4-fluorophenylboronic acid (CAS 1810-72-6), with molecular formula C7H5BFNO2 and molecular weight 165.04 g/mol. IUPAC: (3-cyano-4-fluorophenyl)boronic acid.
Chemical Property Profile of 3-Cyano-4-fluorophenylboronic acid
Property Insights of 3-Cyano-4-fluorophenylboronic acid
The XLogP value of -0.62282 indicates that 3-Cyano-4-fluorophenylboronic 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-Cyano-4-fluorophenylboronic acid. Following Lipinski's Rule of Five, 3-Cyano-4-fluorophenylboronic 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-Cyano-4-fluorophenylboronic acid?
The CAS number of 3-Cyano-4-fluorophenylboronic acid is 1810-72-6.
What is the molecular formula of 3-Cyano-4-fluorophenylboronic acid?
The molecular formula of 3-Cyano-4-fluorophenylboronic acid is C7H5BFNO2.
What is the molecular weight of 3-Cyano-4-fluorophenylboronic acid?
The molecular weight of 3-Cyano-4-fluorophenylboronic acid is 165.04 g/mol.
Where can I buy 3-Cyano-4-fluorophenylboronic acid?
You can request a quote for 3-Cyano-4-fluorophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-4-fluorophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-4-fluorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.