2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 153983-24-5) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: BAS 00649030, 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-(3-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione, F1189-0030
Technical Specifications
| Molecular Formula | C14H12N2O4 |
| Molecular Weight | 272.0797 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.0797 Da |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | KRGRFPBBWGWVPR-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-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 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 153983-24-5.
What is the molecular formula of 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C14H12N2O4.
What is the molecular weight of 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 272.0797 g/mol.
Where can I buy 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-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 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, CoreyChem provides custom synthesis services for 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.