3-(Bromomethyl)benzeneboronic acid
TL;DR: 3-(Bromomethyl)benzeneboronic acid (CAS 80019-76-7) is a chemical compound with molecular formula C7H8BBrO2 and molecular weight 213.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(bromomethyl)phenyl]boronic acid
Also Known As: 3-Bromomethylphenylboronic acid, 3-(Bromomethyl)phenylboronic acid, [3-(bromomethyl)phenyl]boronic Acid, (3-(bromomethyl)phenyl)boronic acid, 3-(Bromomethyl)benzeneboronic acid
| Molecular Formula | C7H8BBrO2 |
|---|---|
| Molecular Weight | 213.98 g/mol |
| LogP | 0.2613 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.98007 |
| Heavy Atoms | 11 |
| Complexity | 239.63712 |
Chemical Identifiers
| CAS Number | 80019-76-7 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)CBr)(O)O |
Product Overview
3-(Bromomethyl)benzeneboronic acid (CAS 80019-76-7), with molecular formula C7H8BBrO2 and molecular weight 213.98 g/mol. IUPAC: [3-(bromomethyl)phenyl]boronic acid.
Chemical Property Profile of 3-(Bromomethyl)benzeneboronic acid
Property Insights of 3-(Bromomethyl)benzeneboronic acid
The XLogP value of 0.2613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bromomethyl)benzeneboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 3-(Bromomethyl)benzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bromomethyl)benzeneboronic 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-(Bromomethyl)benzeneboronic acid?
The CAS number of 3-(Bromomethyl)benzeneboronic acid is 80019-76-7.
What is the molecular formula of 3-(Bromomethyl)benzeneboronic acid?
The molecular formula of 3-(Bromomethyl)benzeneboronic acid is C7H8BBrO2.
What is the molecular weight of 3-(Bromomethyl)benzeneboronic acid?
The molecular weight of 3-(Bromomethyl)benzeneboronic acid is 213.98 g/mol.
Where can I buy 3-(Bromomethyl)benzeneboronic acid?
You can request a quote for 3-(Bromomethyl)benzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bromomethyl)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bromomethyl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.