Ethyl nitroacetate
TL;DR: Ethyl nitroacetate (CAS 626-35-7) is a chemical compound with molecular formula C4H7NO4 and molecular weight 133.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-nitroacetate
Also Known As: Ethyl nitroacetate, ethyl 2-nitroacetate, Ethylnitroacetate, Nitroacetic acid ethyl ester, ethylnitroacetat
| Molecular Formula | C4H7NO4 |
|---|---|
| Molecular Weight | 133.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.0375 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 626-35-7 |
|---|---|
| SMILES | CCOC(=O)C[N+](=O)[O-] |
| InChIKey | FTKASJMIPSSXBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl nitroacetate (CAS 626-35-7), with molecular formula C4H7NO4 and molecular weight 133.04 g/mol. IUPAC: ethyl 2-nitroacetate.
Chemical Property Profile of Ethyl nitroacetate
Property Insights of Ethyl nitroacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl nitroacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl nitroacetate. Following Lipinski's Rule of Five, Ethyl nitroacetate has 0 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 Ethyl nitroacetate?
The CAS number of Ethyl nitroacetate is 626-35-7.
What is the molecular formula of Ethyl nitroacetate?
The molecular formula of Ethyl nitroacetate is C4H7NO4.
What is the molecular weight of Ethyl nitroacetate?
The molecular weight of Ethyl nitroacetate is 133.04 g/mol.
Where can I buy Ethyl nitroacetate?
You can request a quote for Ethyl nitroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl nitroacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl nitroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.