Ethyl 3-(o-nitrophenyl)pyruvate
TL;DR: Ethyl 3-(o-nitrophenyl)pyruvate (CAS 784-98-5) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-nitrophenyl)-2-oxopropanoate
Also Known As: ethyl3- pyruvate, ethyl 3-(2-nitrophenyl)-2-oxopropanoate, Ethyl 3-(o-nitrophenyl)pyruvate, ethyl o-nitrophenylpyruvate, Benzenepropanoic acid,2-nitro-a-oxo-, ethyl ester
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 784-98-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | AKWXORMMOJRIBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(o-nitrophenyl)pyruvate (CAS 784-98-5), with molecular formula C11H11NO5 and molecular weight 237.06 g/mol. IUPAC: ethyl 3-(2-nitrophenyl)-2-oxopropanoate.
Chemical Property Profile of Ethyl 3-(o-nitrophenyl)pyruvate
Property Insights of Ethyl 3-(o-nitrophenyl)pyruvate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(o-nitrophenyl)pyruvate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(o-nitrophenyl)pyruvate. Following Lipinski's Rule of Five, Ethyl 3-(o-nitrophenyl)pyruvate 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 3-(o-nitrophenyl)pyruvate?
The CAS number of Ethyl 3-(o-nitrophenyl)pyruvate is 784-98-5.
What is the molecular formula of Ethyl 3-(o-nitrophenyl)pyruvate?
The molecular formula of Ethyl 3-(o-nitrophenyl)pyruvate is C11H11NO5.
What is the molecular weight of Ethyl 3-(o-nitrophenyl)pyruvate?
The molecular weight of Ethyl 3-(o-nitrophenyl)pyruvate is 237.06 g/mol.
Where can I buy Ethyl 3-(o-nitrophenyl)pyruvate?
You can request a quote for Ethyl 3-(o-nitrophenyl)pyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(o-nitrophenyl)pyruvate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(o-nitrophenyl)pyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.