(3-Nitro-4-isobutylphenyl)boronic acid
TL;DR: (3-Nitro-4-isobutylphenyl)boronic acid (CAS 871329-54-3) is a chemical compound with molecular formula C10H14BNO4 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylpropyl)-3-nitrophenyl]boronic acid
Also Known As: (3-NITRO-4-ISOBUTYLPHENYL)BORONIC ACID, 4-Isobutyl-3-nitrophenylboronic acid, [4-(2-methylpropyl)-3-nitrophenyl]boronic acid, 4-Isobutyl-3-nitrobenzeneboronic acid, (4-Isobutyl-3-nitrophenyl)boronic acid
| Molecular Formula | C10H14BNO4 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 0.4731 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.1016 |
| Heavy Atoms | 16 |
| Complexity | 392.40546 |
Chemical Identifiers
| CAS Number | 871329-54-3 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)CC(C)C)[N+](=O)[O-])(O)O |
Product Overview
(3-Nitro-4-isobutylphenyl)boronic acid (CAS 871329-54-3), with molecular formula C10H14BNO4 and molecular weight 223.10 g/mol. IUPAC: [4-(2-methylpropyl)-3-nitrophenyl]boronic acid.
Chemical Property Profile of (3-Nitro-4-isobutylphenyl)boronic acid
Property Insights of (3-Nitro-4-isobutylphenyl)boronic acid
The XLogP value of 0.4731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitro-4-isobutylphenyl)boronic acid. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitro-4-isobutylphenyl)boronic acid. Following Lipinski's Rule of Five, (3-Nitro-4-isobutylphenyl)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 (3-Nitro-4-isobutylphenyl)boronic acid?
The CAS number of (3-Nitro-4-isobutylphenyl)boronic acid is 871329-54-3.
What is the molecular formula of (3-Nitro-4-isobutylphenyl)boronic acid?
The molecular formula of (3-Nitro-4-isobutylphenyl)boronic acid is C10H14BNO4.
What is the molecular weight of (3-Nitro-4-isobutylphenyl)boronic acid?
The molecular weight of (3-Nitro-4-isobutylphenyl)boronic acid is 223.10 g/mol.
Where can I buy (3-Nitro-4-isobutylphenyl)boronic acid?
You can request a quote for (3-Nitro-4-isobutylphenyl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitro-4-isobutylphenyl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitro-4-isobutylphenyl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.