(4-Methyl-2-nitrophenyl)boronic acid
TL;DR: (4-Methyl-2-nitrophenyl)boronic acid (CAS 143697-03-4) is a chemical compound with molecular formula C7H8BNO4 and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-nitrophenyl)boronic acid
Also Known As: (4-methyl-2-nitrophenyl)boronic acid, 4-Methyl-2-nitrophenylboronic acid, 4-Methyl-2-nitrobenzeneboronic acid, (4-METHYL-2-NITRO)BENZENEBORONIC ACID, Boronic acid, B-(4-methyl-2-nitrophenyl)-
| Molecular Formula | C7H8BNO4 |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | -0.41698 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.05464 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 143697-03-4 |
|---|---|
| SMILES | B(C1=C(C=C(C=C1)C)[N+](=O)[O-])(O)O |
| InChIKey | AYHIVXNOPOXRIZ-UHFFFAOYSA-N |
Product Overview
(4-Methyl-2-nitrophenyl)boronic acid (CAS 143697-03-4), with molecular formula C7H8BNO4 and molecular weight 181.05 g/mol. IUPAC: (4-methyl-2-nitrophenyl)boronic acid.
Chemical Property Profile of (4-Methyl-2-nitrophenyl)boronic acid
Property Insights of (4-Methyl-2-nitrophenyl)boronic acid
The XLogP value of -0.41698 indicates that (4-Methyl-2-nitrophenyl)boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-2-nitrophenyl)boronic acid. Following Lipinski's Rule of Five, (4-Methyl-2-nitrophenyl)boronic acid has 2 hydrogen bond donor(s) and 4 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-Methyl-2-nitrophenyl)boronic acid?
The CAS number of (4-Methyl-2-nitrophenyl)boronic acid is 143697-03-4.
What is the molecular formula of (4-Methyl-2-nitrophenyl)boronic acid?
The molecular formula of (4-Methyl-2-nitrophenyl)boronic acid is C7H8BNO4.
What is the molecular weight of (4-Methyl-2-nitrophenyl)boronic acid?
The molecular weight of (4-Methyl-2-nitrophenyl)boronic acid is 181.05 g/mol.
Where can I buy (4-Methyl-2-nitrophenyl)boronic acid?
You can request a quote for (4-Methyl-2-nitrophenyl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-2-nitrophenyl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-2-nitrophenyl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.