3,4-Difluorobenzeneboronic acid
TL;DR: 3,4-Difluorobenzeneboronic acid (CAS 1849-55-4) is a chemical compound with molecular formula C6H5BF2O2 and molecular weight 158.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-difluorophenyl)boronic acid
Also Known As: 3,4-Difluorophenylboronic acid, (3,4-difluorophenyl)boronic acid, 3,4-Difluorobenzeneboronic acid, (3,4-Difluorophenyl)Boranediol, 3,4-difluorophenylbornic acid
| Molecular Formula | C6H5BF2O2 |
|---|---|
| Molecular Weight | 158.04 g/mol |
| LogP | -0.3554 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.03506 |
| Heavy Atoms | 11 |
| Complexity | 264.75925 |
Chemical Identifiers
| CAS Number | 1849-55-4 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)F)F)(O)O |
Product Overview
3,4-Difluorobenzeneboronic acid (CAS 1849-55-4), with molecular formula C6H5BF2O2 and molecular weight 158.04 g/mol. IUPAC: (3,4-difluorophenyl)boronic acid.
Chemical Property Profile of 3,4-Difluorobenzeneboronic acid
Property Insights of 3,4-Difluorobenzeneboronic acid
The XLogP value of -0.3554 indicates that 3,4-Difluorobenzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.46 Ų, 3,4-Difluorobenzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Difluorobenzeneboronic acid has 2 hydrogen bond donor(s) and 2 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 3,4-Difluorobenzeneboronic acid?
The CAS number of 3,4-Difluorobenzeneboronic acid is 1849-55-4.
What is the molecular formula of 3,4-Difluorobenzeneboronic acid?
The molecular formula of 3,4-Difluorobenzeneboronic acid is C6H5BF2O2.
What is the molecular weight of 3,4-Difluorobenzeneboronic acid?
The molecular weight of 3,4-Difluorobenzeneboronic acid is 158.04 g/mol.
Where can I buy 3,4-Difluorobenzeneboronic acid?
You can request a quote for 3,4-Difluorobenzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Difluorobenzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Difluorobenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.