4-Bromo-2,6-difluorophenylboronic acid
TL;DR: 4-Bromo-2,6-difluorophenylboronic acid (CAS 937596-79-7) is a chemical compound with molecular formula C6H4BBrF2O2 and molecular weight 235.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,6-difluorophenyl)boronic acid
Also Known As: 4-Bromo-2,6-difluorophenylboronic acid, (4-bromo-2,6-difluorophenyl)boronic acid, 4-Amino-N-benzylbenzamide, 2,6-Difluoro-4-bromophenylboronic acid, 4-BROMO-2 6-DIFLUOROPHENYLBORONIC ACID
| Molecular Formula | C6H4BBrF2O2 |
|---|---|
| Molecular Weight | 235.95 g/mol |
| LogP | 0.4071 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.94559 |
| Heavy Atoms | 12 |
| Complexity | 282.59473 |
Chemical Identifiers
| CAS Number | 937596-79-7 |
|---|---|
| SMILES | B(C1=C(C=C(C=C1F)Br)F)(O)O |
Product Overview
4-Bromo-2,6-difluorophenylboronic acid (CAS 937596-79-7), with molecular formula C6H4BBrF2O2 and molecular weight 235.95 g/mol. IUPAC: (4-bromo-2,6-difluorophenyl)boronic acid.
Chemical Property Profile of 4-Bromo-2,6-difluorophenylboronic acid
Property Insights of 4-Bromo-2,6-difluorophenylboronic acid
The XLogP value of 0.4071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2,6-difluorophenylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 4-Bromo-2,6-difluorophenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,6-difluorophenylboronic 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 4-Bromo-2,6-difluorophenylboronic acid?
The CAS number of 4-Bromo-2,6-difluorophenylboronic acid is 937596-79-7.
What is the molecular formula of 4-Bromo-2,6-difluorophenylboronic acid?
The molecular formula of 4-Bromo-2,6-difluorophenylboronic acid is C6H4BBrF2O2.
What is the molecular weight of 4-Bromo-2,6-difluorophenylboronic acid?
The molecular weight of 4-Bromo-2,6-difluorophenylboronic acid is 235.95 g/mol.
Where can I buy 4-Bromo-2,6-difluorophenylboronic acid?
You can request a quote for 4-Bromo-2,6-difluorophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,6-difluorophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,6-difluorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.