1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
TL;DR: 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 126961-71-5) is a chemical compound with molecular formula C10H8BrN3O and molecular weight 264.98508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Also Known As: Z-Ala-ONp, 1-(2-bromophenyl)-2-(1,2,4-triazol-1-yl)ethanone, 1-(2-BROMOPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE, 1-(2-bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, Ethanone,1-(2-bromophenyl)-2-(1H-1,2,4-triazol-1-yl)-
Technical Specifications
| Molecular Formula | C10H8BrN3O |
| Molecular Weight | 264.98508 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.98508 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)CN2C=NC=N2)Br |
| InChIKey | WXERDXJZOKCUPJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
Property Insights of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one. With a topological polar surface area (TPSA) of 47.8 Ų, 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one 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-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The CAS number of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is 126961-71-5.
What is the molecular formula of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The molecular formula of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is C10H8BrN3O.
What is the molecular weight of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The molecular weight of 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is 264.98508 g/mol.
Where can I buy 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
You can request a quote for 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.