2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione
TL;DR: 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione (CAS 337474-29-0) is a chemical compound with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethoxyphenyl)-4-nitroisoindole-1,3-dione
Also Known As: 2-(3-ethoxyphenyl)-4-nitroisoindole-1,3-dione, 2-(3-ethoxyphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione, 2-(3-ethoxyphenyl)-4-nitrobenzo[c]azoline-1,3-dione
| Molecular Formula | C16H12N2O5 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.7941 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.07462 |
| Heavy Atoms | 23 |
| Complexity | 830.97034 |
Chemical Identifiers
| CAS Number | 337474-29-0 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione (CAS 337474-29-0), with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol. IUPAC: 2-(3-ethoxyphenyl)-4-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione
Property Insights of 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione
The XLogP value of 2.7941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(3-Ethoxyphenyl)-4-nitroisoindole-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-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione?
The CAS number of 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione is 337474-29-0.
What is the molecular formula of 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione?
The molecular formula of 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione is C16H12N2O5.
What is the molecular weight of 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione?
The molecular weight of 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione is 312.07 g/mol.
Where can I buy 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione?
You can request a quote for 2-(3-Ethoxyphenyl)-4-nitroisoindole-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-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Ethoxyphenyl)-4-nitroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.