(E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
TL;DR: (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one (CAS 167109-60-6) is a chemical compound with molecular formula C25H27Cl2N3O2 and molecular weight 471.14804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Also Known As: (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one, (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C25H27Cl2N3O2 |
| Molecular Weight | 471.14804 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.14804 Da |
| Heavy Atoms | 32 |
| Complexity | 676.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C(=O)C2=C(C=C(C=C2)Cl)Cl)/N3C=NC=N3 |
| InChIKey | NIPRJEQJYKBYTD-SRZZPIQSSA-N |
Chemical Property Profile of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Property Insights of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
The XLogP value of 7.9 indicates that (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one?
The CAS number of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one is 167109-60-6.
What is the molecular formula of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one?
The molecular formula of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one is C25H27Cl2N3O2.
What is the molecular weight of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one?
The molecular weight of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one is 471.14804 g/mol.
Where can I buy (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one?
You can request a quote for (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.