4-Ethoxycarbonyl-2-nitrophenylboronic acid
TL;DR: 4-Ethoxycarbonyl-2-nitrophenylboronic acid (CAS 940307-29-9) is a chemical compound with molecular formula C9H10BNO6 and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxycarbonyl-2-nitrophenyl)boronic acid
Also Known As: 4-Ethoxycarbonyl-2-nitrophenylboronic acid, (4-ethoxycarbonyl-2-nitrophenyl)boronic acid, 4-Ethoxycarbonyl-2-nitrophenylboronicacid, ETHYL 4-BORONO-3-NITROBENZOATE, ETHYL 4-BORONO-3-NITRABENZOATE
| Molecular Formula | C9H10BNO6 |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | -0.5487 |
| Topological Polar Surface Area | 109.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.06012 |
| Heavy Atoms | 17 |
| Complexity | 447.11227 |
Chemical Identifiers
| CAS Number | 940307-29-9 |
|---|---|
| SMILES | B(C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-])(O)O |
Product Overview
4-Ethoxycarbonyl-2-nitrophenylboronic acid (CAS 940307-29-9), with molecular formula C9H10BNO6 and molecular weight 239.06 g/mol. IUPAC: (4-ethoxycarbonyl-2-nitrophenyl)boronic acid.
Chemical Property Profile of 4-Ethoxycarbonyl-2-nitrophenylboronic acid
Property Insights of 4-Ethoxycarbonyl-2-nitrophenylboronic acid
The XLogP value of -0.5487 indicates that 4-Ethoxycarbonyl-2-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 4-Ethoxycarbonyl-2-nitrophenylboronic acid. Following Lipinski's Rule of Five, 4-Ethoxycarbonyl-2-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 4-Ethoxycarbonyl-2-nitrophenylboronic acid?
The CAS number of 4-Ethoxycarbonyl-2-nitrophenylboronic acid is 940307-29-9.
What is the molecular formula of 4-Ethoxycarbonyl-2-nitrophenylboronic acid?
The molecular formula of 4-Ethoxycarbonyl-2-nitrophenylboronic acid is C9H10BNO6.
What is the molecular weight of 4-Ethoxycarbonyl-2-nitrophenylboronic acid?
The molecular weight of 4-Ethoxycarbonyl-2-nitrophenylboronic acid is 239.06 g/mol.
Where can I buy 4-Ethoxycarbonyl-2-nitrophenylboronic acid?
You can request a quote for 4-Ethoxycarbonyl-2-nitrophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxycarbonyl-2-nitrophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxycarbonyl-2-nitrophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.