1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
TL;DR: 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (CAS 1020252-47-4) is a chemical compound with molecular formula C12H12BrN3O and molecular weight 293.01636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
Also Known As: 1-(4-bromophenyl)-2-methyl-2-(1H-1,2,4-triazol-1-yl)propan-1-one, 1-(4-bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one, 1-(4-BROMOPHENYL)-2-METHYL-2-(1,2,4-TRIAZOLYL)PROPAN-1-ONE, 1-(4-bromophenyl)-2-methyl-2-(1H-1,2,4-triazol-1-yl)-1-propanone
Technical Specifications
| Molecular Formula | C12H12BrN3O |
| Molecular Weight | 293.01636 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.01636 Da |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
| SMILES | CC(C)(C(=O)C1=CC=C(C=C1)Br)N2C=NC=N2 |
| InChIKey | WQGAEBKFSUUNHZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
Property Insights of 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one. With a topological polar surface area (TPSA) of 47.8 Ų, 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-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-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The CAS number of 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is 1020252-47-4.
What is the molecular formula of 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The molecular formula of 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is C12H12BrN3O.
What is the molecular weight of 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The molecular weight of 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is 293.01636 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
You can request a quote for 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Bromophenyl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.