4-Bromo-2-methylphenylboronic acid
TL;DR: 4-Bromo-2-methylphenylboronic acid (CAS 221006-71-9) 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.
(4-bromo-2-methylphenyl)boronic acid
Also Known As: (4-Bromo-2-methylphenyl)boronic acid, 4-BROMO-2-METHYLPHENYLBORONIC ACID, 4-Bromo-2-methylphenyboronic acid, (4-Bromo-2-methylphenyl)boronicacid, (4-bromo-2-methyl-phenyl)boronic Acid
| Molecular Formula | C7H8BBrO2 |
|---|---|
| Molecular Weight | 213.98 g/mol |
| LogP | 0.43732 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.98007 |
| Heavy Atoms | 11 |
| Complexity | 262.61752 |
Chemical Identifiers
| CAS Number | 221006-71-9 |
|---|---|
| SMILES | B(C1=C(C=C(C=C1)Br)C)(O)O |
Product Overview
4-Bromo-2-methylphenylboronic acid (CAS 221006-71-9), with molecular formula C7H8BBrO2 and molecular weight 213.98 g/mol. IUPAC: (4-bromo-2-methylphenyl)boronic acid.
Chemical Property Profile of 4-Bromo-2-methylphenylboronic acid
Property Insights of 4-Bromo-2-methylphenylboronic acid
The XLogP value of 0.43732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-methylphenylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 4-Bromo-2-methylphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-methylphenylboronic 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-methylphenylboronic acid?
The CAS number of 4-Bromo-2-methylphenylboronic acid is 221006-71-9.
What is the molecular formula of 4-Bromo-2-methylphenylboronic acid?
The molecular formula of 4-Bromo-2-methylphenylboronic acid is C7H8BBrO2.
What is the molecular weight of 4-Bromo-2-methylphenylboronic acid?
The molecular weight of 4-Bromo-2-methylphenylboronic acid is 213.98 g/mol.
Where can I buy 4-Bromo-2-methylphenylboronic acid?
You can request a quote for 4-Bromo-2-methylphenylboronic 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-methylphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methylphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.