3,5-Dinitro-2-methylphenylboronic acid
TL;DR: 3,5-Dinitro-2-methylphenylboronic acid (CAS 24341-76-2) is a chemical compound with molecular formula C7H7BN2O6 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-3,5-dinitrophenyl)boronic acid
Also Known As: 3,5-Dinitro-2-methylphenylboronic acid, Chloroac-pro-oh, (3,5-DINITRO-2-METHYLPHENYL)BORONIC ACID, (2-methyl-3,5-dinitrophenyl)boronic acid, 2-Borono-4,6-dinitrotoluene
| Molecular Formula | C7H7BN2O6 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | -0.50878 |
| Topological Polar Surface Area | 126.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.03972 |
| Heavy Atoms | 16 |
| Complexity | 460.43542 |
Chemical Identifiers
| CAS Number | 24341-76-2 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-])(O)O |
Product Overview
3,5-Dinitro-2-methylphenylboronic acid (CAS 24341-76-2), with molecular formula C7H7BN2O6 and molecular weight 226.04 g/mol. IUPAC: (2-methyl-3,5-dinitrophenyl)boronic acid.
Chemical Property Profile of 3,5-Dinitro-2-methylphenylboronic acid
Property Insights of 3,5-Dinitro-2-methylphenylboronic acid
The XLogP value of -0.50878 indicates that 3,5-Dinitro-2-methylphenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitro-2-methylphenylboronic acid. Following Lipinski's Rule of Five, 3,5-Dinitro-2-methylphenylboronic acid has 2 hydrogen bond donor(s) and 6 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 3,5-Dinitro-2-methylphenylboronic acid?
The CAS number of 3,5-Dinitro-2-methylphenylboronic acid is 24341-76-2.
What is the molecular formula of 3,5-Dinitro-2-methylphenylboronic acid?
The molecular formula of 3,5-Dinitro-2-methylphenylboronic acid is C7H7BN2O6.
What is the molecular weight of 3,5-Dinitro-2-methylphenylboronic acid?
The molecular weight of 3,5-Dinitro-2-methylphenylboronic acid is 226.04 g/mol.
Where can I buy 3,5-Dinitro-2-methylphenylboronic acid?
You can request a quote for 3,5-Dinitro-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 3,5-Dinitro-2-methylphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-2-methylphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.