4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione (CAS 139725-18-1) is a chemical compound with molecular formula C16H12N2O4 and molecular weight 296.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitro-2-(1-phenylethyl)isoindole-1,3-dione
Also Known As: 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione, 4-Nitro-2-(1-phenylethyl)isoindoline-1,3-dione, 4-nitro-2-(1-phenylethyl)isoindole-1,3-dione, 4-nitro-2-(phenylethyl)benzo[c]azolidine-1,3-dione, 1H-isoindole-1,3(2H)-dione, 4-nitro-2-(1-phenylethyl)-
Technical Specifications
| Molecular Formula | C16H12N2O4 |
| Molecular Weight | 296.0797 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0797 Da |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
| SMILES | CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
| InChIKey | ZQYVFBYTYFPDJZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione 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
What is the CAS number of 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione is 139725-18-1.
What is the molecular formula of 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione is C16H12N2O4.
What is the molecular weight of 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione is 296.0797 g/mol.
Where can I buy 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione?
Yes, CoreyChem provides custom synthesis services for 4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.