![Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester structure](/static/products/6346/63468-27-9.webp)
Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester
TL;DR: Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester (CAS 63468-27-9) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethoxy-3-(4-nitrophenyl)iminopropanoate
Also Known As: ethyl3-ethoxy-3-[imino]propionate, ethyl3-ethoxy-3-[ imino]propionate, Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester, ethyl 3-ethoxy-3-(4-nitrophenyl)iminopropanoate, Ethyl 3-ethoxy-3-((4-nitrophenyl)imino)propionate
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 63468-27-9 |
|---|---|
| SMILES | CCOC(=NC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)OCC |
| InChIKey | ZJGJNPAVJZSQLA-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester (CAS 63468-27-9), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: ethyl 3-ethoxy-3-(4-nitrophenyl)iminopropanoate.
Chemical Property Profile of Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester
Property Insights of Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester 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
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester?
The CAS number of Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester is 63468-27-9.
What is the molecular formula of Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester?
The molecular formula of Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester is C13H16N2O5.
What is the molecular weight of Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester?
The molecular weight of Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester is 280.11 g/mol.
Where can I buy Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester?
You can request a quote for Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.