1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone
TL;DR: 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone (CAS 139370-88-0) is a chemical compound with molecular formula C10H8N4O3 and molecular weight 232.05965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Also Known As: 1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone, Ethanone, 1-(4-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)-, AE-848/32001007, 1-(4-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)-ethanone, 1-{4-nitrophenyl}-2-(1H-1,2,4-triazol-1-yl)ethanone
Technical Specifications
| Molecular Formula | C10H8N4O3 |
| Molecular Weight | 232.05965 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05965 Da |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
| SMILES | C1=CC(=CC=C1C(=O)CN2C=NC=N2)[N+](=O)[O-] |
| InChIKey | CQAFVMXEPJPFSQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Property Insights of 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone 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
What is the CAS number of 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The CAS number of 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone is 139370-88-0.
What is the molecular formula of 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The molecular formula of 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone is C10H8N4O3.
What is the molecular weight of 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The molecular weight of 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone is 232.05965 g/mol.
Where can I buy 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
You can request a quote for 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.