Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate
TL;DR: Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate (CAS 17451-67-1) is a chemical compound with molecular formula C19H16N2O6 and molecular weight 368.10083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate
Also Known As: ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate, 4-Nitro-L-phenyl-N-phthalylalanine, ethyl ester, 4-Nitro-N,N-phthaloyl-L-phenylalanin-aethylester, 4-Nitro-N,N-phthaloyl-DL-phenylalanine ethyl ester, Ethyl (S)-1,3-dihydro-alpha-((4-nitrophenyl)methyl)-1,3-dioxo-2H-isoindole-2-acetate
Technical Specifications
| Molecular Formula | C19H16N2O6 |
| Molecular Weight | 368.10083 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.10083 Da |
| Heavy Atoms | 27 |
| Complexity | 584.0 |
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | RVEIAMZETABDBE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate
Property Insights of Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate
The XLogP value of 3.0 indicates that Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate 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-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate?
The CAS number of Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate is 17451-67-1.
What is the molecular formula of Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate?
The molecular formula of Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate is C19H16N2O6.
What is the molecular weight of Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate?
The molecular weight of Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate is 368.10083 g/mol.
Where can I buy Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate?
You can request a quote for Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.