1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone
TL;DR: 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone (CAS 128979-27-1) is a chemical compound with molecular formula C10H9N3O and molecular weight 187.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-phenyltriazol-4-yl)ethanone
Also Known As: 1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-one, 1-(1-phenyltriazol-4-yl)ethanone, 1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethanone, 4-acetyl-1-phenyl-1H-1,2,3-triazole, 1-Phenyl-4-acetyl-1H-1,2,3-triazole
Technical Specifications
| Molecular Formula | C10H9N3O |
| Molecular Weight | 187.07455 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.07455 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | CC(=O)C1=CN(N=N1)C2=CC=CC=C2 |
| InChIKey | XGJNBFOAUGABHH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone
Property Insights of 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone. With a topological polar surface area (TPSA) of 47.8 Ų, 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone has 0 hydrogen bond donor(s) and 3 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-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone?
The CAS number of 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone is 128979-27-1.
What is the molecular formula of 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone?
The molecular formula of 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone is C10H9N3O.
What is the molecular weight of 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone?
The molecular weight of 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone is 187.07455 g/mol.
Where can I buy 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone?
You can request a quote for 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(1-Phenyl-1H-1,2,3-triazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.