Ethyl 4-nitrophenylglyoxylate
TL;DR: Ethyl 4-nitrophenylglyoxylate (CAS 70091-75-7) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-nitrophenyl)-2-oxoacetate
Also Known As: Ethyl 4-nitrophenylglyoxylate, ethyl 2-(4-nitrophenyl)-2-oxoacetate, Ethyl 4-nitrobenzoylformate, Ethyl (4-nitrophenyl)(oxo)acetate, ethyl p-nitrophenylglyoxylate
| Molecular Formula | C10H9NO5 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04807 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 70091-75-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | ZFCXKZCKJZFZGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-nitrophenylglyoxylate (CAS 70091-75-7), with molecular formula C10H9NO5 and molecular weight 223.05 g/mol. IUPAC: ethyl 2-(4-nitrophenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 4-nitrophenylglyoxylate
Property Insights of Ethyl 4-nitrophenylglyoxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrophenylglyoxylate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrophenylglyoxylate. Following Lipinski's Rule of Five, Ethyl 4-nitrophenylglyoxylate has 0 hydrogen bond donor(s) and 5 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 Ethyl 4-nitrophenylglyoxylate?
The CAS number of Ethyl 4-nitrophenylglyoxylate is 70091-75-7.
What is the molecular formula of Ethyl 4-nitrophenylglyoxylate?
The molecular formula of Ethyl 4-nitrophenylglyoxylate is C10H9NO5.
What is the molecular weight of Ethyl 4-nitrophenylglyoxylate?
The molecular weight of Ethyl 4-nitrophenylglyoxylate is 223.05 g/mol.
Where can I buy Ethyl 4-nitrophenylglyoxylate?
You can request a quote for Ethyl 4-nitrophenylglyoxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitrophenylglyoxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrophenylglyoxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.