2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone
TL;DR: 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone (CAS 129994-09-8) is a chemical compound with molecular formula C12H9Cl2N3O2 and molecular weight 297.00717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-acetyl-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone
Also Known As: AN-806/14214015, 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone, 2-(5-acetyl-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone
Technical Specifications
| Molecular Formula | C12H9Cl2N3O2 |
| Molecular Weight | 297.00717 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.00717 Da |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
| SMILES | CC(=O)C1=NC=NN1CC(=O)C2=C(C=C(C=C2)Cl)Cl |
| InChIKey | JYNXTBPXQZPWGG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone
Property Insights of 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone. Following Lipinski's Rule of Five, 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone 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
What is the CAS number of 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone?
The CAS number of 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone is 129994-09-8.
What is the molecular formula of 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone?
The molecular formula of 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone is C12H9Cl2N3O2.
What is the molecular weight of 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone?
The molecular weight of 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone is 297.00717 g/mol.
Where can I buy 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone?
You can request a quote for 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-(5-acetyl-1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.