![Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate structure](/static/products/1511/151162-36-6.webp)
Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate
TL;DR: Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate (CAS 151162-36-6) is a chemical compound with molecular formula C14H17NO6 and molecular weight 295.1056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate
Also Known As: diethyl 2-nitrobenzene-1,4-diacetate, 1,4-Diethyl 2-nitro-1,4-benzenediacetate, ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate, 1,4-Benzenediacetic acid, 2-nitro-, diethyl ester (en)
Technical Specifications
| Molecular Formula | C14H17NO6 |
| Molecular Weight | 295.1056 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.1056 Da |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
| SMILES | CCOC(=O)CC1=CC(=C(C=C1)CC(=O)OCC)[N+](=O)[O-] |
| InChIKey | HKGRJSVGBHHIHF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate
Property Insights of Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate?
The CAS number of Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate is 151162-36-6.
What is the molecular formula of Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate?
The molecular formula of Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate is C14H17NO6.
What is the molecular weight of Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate?
The molecular weight of Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate is 295.1056 g/mol.
Where can I buy Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate?
You can request a quote for Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3-nitrophenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.