2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 54395-37-8) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-5-nitroisoindole-1,3-dione
Also Known As: 4-nitro-N-butylphthalimide, 1H-Isoindole-1,3(2H)-dione, 2-butyl-5-nitro-, 2-butyl-5-nitroisoindole-1,3-dione, 2-Butyl-5-nitroisoindoline-1,3-dione, N-butyl-4-nitrophthalimide
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12N2O4 |
| Molecular Weight | 248.07971 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 Da |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
| SMILES | CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | LSVBBJVITBGNFC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-Butyl-5-nitro-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-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione is 54395-37-8.
What is the molecular formula of 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione is C12H12N2O4.
What is the molecular weight of 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione is 248.07971 g/mol.
Where can I buy 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-Butyl-5-nitro-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-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione?
Yes, CoreyChem provides custom synthesis services for 2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.