2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione
TL;DR: 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione (CAS 667403-80-7) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione
Also Known As: 2-tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione, 2-tert-butyl-5-[(3-nitrophenyl)carbonyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 3.2203 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 972.1351 |
Chemical Identifiers
| CAS Number | 667403-80-7 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione (CAS 667403-80-7), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: 2-tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione.
Chemical Property Profile of 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione
Property Insights of 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione
The XLogP value of 3.2203 indicates that 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-Tert-butyl-5-(3-nitrobenzoyl)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-(3-nitrobenzoyl)isoindole-1,3-dione?
The CAS number of 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione is 667403-80-7.
What is the molecular formula of 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione?
The molecular formula of 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione is C19H16N2O5.
What is the molecular weight of 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione?
The molecular weight of 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione is 352.11 g/mol.
Where can I buy 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione?
You can request a quote for 2-Tert-butyl-5-(3-nitrobenzoyl)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-(3-nitrobenzoyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.