5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione
TL;DR: 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione (CAS 444792-90-9) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione
Also Known As: 5-tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione, 5-tert-butyl-2-{4-nitrophenyl}-1H-isoindole-1,3(2H)-dione, AI-559/15533048
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 3.6929 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 863.57776 |
Chemical Identifiers
| CAS Number | 444792-90-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione (CAS 444792-90-9), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: 5-tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione.
Chemical Property Profile of 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione
Property Insights of 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione
The XLogP value of 3.6929 indicates that 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-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
Frequently Asked Questions
What is the CAS number of 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione?
The CAS number of 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione is 444792-90-9.
What is the molecular formula of 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione?
The molecular formula of 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione is C18H16N2O4.
What is the molecular weight of 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione?
The molecular weight of 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione is 324.11 g/mol.
Where can I buy 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione?
You can request a quote for 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-2-(4-nitrophenyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.