1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
TL;DR: 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- (CAS 110577-53-2) is a chemical compound with molecular formula C15H18BrN3O and molecular weight 335.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-bromophenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one
Also Known As: 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-, 2-(4-bromobenzyl)-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one, 2-[(4-bromophenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one, 1-Butanone,2-[(4-bromophenyl)methyl]-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-, 2-[(4-Bromophenyl)methyl]-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-1-one
Technical Specifications
| Molecular Formula | C15H18BrN3O |
| Molecular Weight | 335.06332 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.06332 Da |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
| SMILES | CC(C)(C)C(CC1=CC=C(C=C1)Br)C(=O)N2C=NC=N2 |
| InChIKey | NSYAEVPDOLRQIK-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
Property Insights of 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
The XLogP value of 4.2 indicates that 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- 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 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is 110577-53-2.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is C15H18BrN3O.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is 335.06332 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole, 1-(2-((4-bromophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.