2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione (CAS 667446-41-5) is a chemical compound with molecular formula C13H8N2O5 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-ylmethyl)-4-nitroisoindole-1,3-dione
Also Known As: 2-(2-furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione, 2-(Furan-2-ylmethyl)-4-nitroisoindoline-1,3-dione, 2-(furan-2-ylmethyl)-4-nitroisoindole-1,3-dione, 2-[(furan-2-yl)methyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione, 2-(2-furylmethyl)-4-nitro-isoindoline-1,3-dione
| Molecular Formula | C13H8N2O5 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 1.984 |
| Topological Polar Surface Area | 93.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.04333 |
| Heavy Atoms | 20 |
| Complexity | 720.3677 |
Chemical Identifiers
| CAS Number | 667446-41-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=CO3 |
Product Overview
2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione (CAS 667446-41-5), with molecular formula C13H8N2O5 and molecular weight 272.04 g/mol. IUPAC: 2-(furan-2-ylmethyl)-4-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione
The XLogP value of 1.984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione. The TPSA of 93.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-Furylmethyl)-4-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-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione is 667446-41-5.
What is the molecular formula of 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione is C13H8N2O5.
What is the molecular weight of 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione is 272.04 g/mol.
Where can I buy 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(2-Furylmethyl)-4-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-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.