1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)- (CAS 65004-95-7) is a chemical compound with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(nitromethyl)isoindole-1,3-dione
Also Known As: 2-(nitromethyl)isoindole-1,3-dione, 2-Nitromethyl-isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-, BAS 01293255, J2.950.440G
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 0.5168 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 433.9351 |
Chemical Identifiers
| CAS Number | 65004-95-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C[N+](=O)[O-] |
Product Overview
1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)- (CAS 65004-95-7), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: 2-(nitromethyl)isoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-
The XLogP value of 0.5168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)- 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 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)- is 65004-95-7.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)- is C9H6N2O4.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)- is 206.03 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 2-(nitromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.