2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione
TL;DR: 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione (CAS 667403-79-4) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione
Also Known As: 2-tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione, 2-tert-butyl-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 3.7816 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 881.3297 |
Chemical Identifiers
| CAS Number | 667403-79-4 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione (CAS 667403-79-4), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: 2-tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione.
Chemical Property Profile of 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione
Property Insights of 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione
The XLogP value of 3.7816 indicates that 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione has 0 hydrogen bond donor(s) and 5 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 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione?
The CAS number of 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione is 667403-79-4.
What is the molecular formula of 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione?
The molecular formula of 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione is C18H16N2O5.
What is the molecular weight of 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione?
The molecular weight of 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione is 340.11 g/mol.
Where can I buy 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione?
You can request a quote for 2-Tert-butyl-5-(4-nitrophenoxy)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 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-5-(4-nitrophenoxy)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.