3-Methoxycarbonyl-5-nitrophenylboronic acid
TL;DR: 3-Methoxycarbonyl-5-nitrophenylboronic acid (CAS 117342-20-8) is a chemical compound with molecular formula C8H8BNO6 and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxycarbonyl-5-nitrophenyl)boronic acid
Also Known As: 3-Methoxycarbonyl-5-nitrophenylboronic acid, (3-(Methoxycarbonyl)-5-nitrophenyl)boronic acid, Phenylboronic Acid, 16, 3-(methoxycarbonyl)-5-nitrophenylboronic acid, (3-methoxycarbonyl-5-nitrophenyl)boronic acid
| Molecular Formula | C8H8BNO6 |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | -0.9388 |
| Topological Polar Surface Area | 109.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.04446 |
| Heavy Atoms | 16 |
| Complexity | 432.53674 |
Chemical Identifiers
| CAS Number | 117342-20-8 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)(O)O |
Product Overview
3-Methoxycarbonyl-5-nitrophenylboronic acid (CAS 117342-20-8), with molecular formula C8H8BNO6 and molecular weight 225.04 g/mol. IUPAC: (3-methoxycarbonyl-5-nitrophenyl)boronic acid.
Chemical Property Profile of 3-Methoxycarbonyl-5-nitrophenylboronic acid
Property Insights of 3-Methoxycarbonyl-5-nitrophenylboronic acid
The XLogP value of -0.9388 indicates that 3-Methoxycarbonyl-5-nitrophenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxycarbonyl-5-nitrophenylboronic acid. Following Lipinski's Rule of Five, 3-Methoxycarbonyl-5-nitrophenylboronic 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-Methoxycarbonyl-5-nitrophenylboronic acid?
The CAS number of 3-Methoxycarbonyl-5-nitrophenylboronic acid is 117342-20-8.
What is the molecular formula of 3-Methoxycarbonyl-5-nitrophenylboronic acid?
The molecular formula of 3-Methoxycarbonyl-5-nitrophenylboronic acid is C8H8BNO6.
What is the molecular weight of 3-Methoxycarbonyl-5-nitrophenylboronic acid?
The molecular weight of 3-Methoxycarbonyl-5-nitrophenylboronic acid is 225.04 g/mol.
Where can I buy 3-Methoxycarbonyl-5-nitrophenylboronic acid?
You can request a quote for 3-Methoxycarbonyl-5-nitrophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxycarbonyl-5-nitrophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxycarbonyl-5-nitrophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.