2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
TL;DR: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide (CAS 374597-12-3) is a chemical compound with molecular formula C12H8N6O5 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
Also Known As: BAS 02232838, 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide, 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide, 2-(4-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-N-[1,2,4]triazol-4-yl-acetamide, 2-(4-nitro-1,3-dioxobenzo[c]azolin-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
| Molecular Formula | C12H8N6O5 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | -0.4474 |
| Topological Polar Surface Area | 140.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0556 |
| Heavy Atoms | 23 |
| Complexity | 830.47174 |
Chemical Identifiers
| CAS Number | 374597-12-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NN3C=NN=C3 |
Product Overview
2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide (CAS 374597-12-3), with molecular formula C12H8N6O5 and molecular weight 316.06 g/mol. IUPAC: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide.
Chemical Property Profile of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
Property Insights of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
The XLogP value of -0.4474 indicates that 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.33 Ų indicates high polarity, suggesting 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide has 1 hydrogen bond donor(s) and 7 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-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
The CAS number of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide is 374597-12-3.
What is the molecular formula of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
The molecular formula of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide is C12H8N6O5.
What is the molecular weight of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
The molecular weight of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide is 316.06 g/mol.
Where can I buy 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
You can request a quote for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.