Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate
TL;DR: Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate (CAS 144576-76-1) is a chemical compound with molecular formula C17H12N2O6 and molecular weight 340.06955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate
Also Known As: BAS 00095830, ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate, ethyl 4-(5-nitro-1,3-dioxoisoindolin-2-yl)benzoate, 4-(5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid ethyl ester, ethyl 4-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}benzoate
Technical Specifications
| Molecular Formula | C17H12N2O6 |
| Molecular Weight | 340.06955 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.06955 Da |
| Heavy Atoms | 25 |
| Complexity | 578.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | BTXZNKLLUSGMDZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate
Property Insights of Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate 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 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate?
The CAS number of Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate is 144576-76-1.
What is the molecular formula of Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate?
The molecular formula of Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate is C17H12N2O6.
What is the molecular weight of Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate?
The molecular weight of Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate is 340.06955 g/mol.
Where can I buy Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate?
You can request a quote for Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.