2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 645401-63-4) is a chemical compound with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxyethyl)-5-nitroisoindole-1,3-dione
Also Known As: 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione, 2-(2-methoxyethyl)-5-nitroisoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-(2-methoxyethyl)-5-nitro-
| Molecular Formula | C11H10N2O5 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 0.8372 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.05898 |
| Heavy Atoms | 18 |
| Complexity | 540.23517 |
Chemical Identifiers
| CAS Number | 645401-63-4 |
|---|---|
| SMILES | COCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 645401-63-4), with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol. IUPAC: 2-(2-methoxyethyl)-5-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.8372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-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-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione is 645401-63-4.
What is the molecular formula of 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione is C11H10N2O5.
What is the molecular weight of 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione is 250.06 g/mol.
Where can I buy 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methoxyethyl)-5-nitro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.