1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
TL;DR: 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one (CAS 167109-64-0) is a chemical compound with molecular formula C17H10Cl2N4O3 and molecular weight 388.013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Also Known As: BAS 00367391, 1-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one, 1-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)-2-propen-1-one
Technical Specifications
| Molecular Formula | C17H10Cl2N4O3 |
| Molecular Weight | 388.013 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.013 Da |
| Heavy Atoms | 26 |
| Complexity | 569.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C(=O)C2=C(C=C(C=C2)Cl)Cl)N3C=NC=N3 |
| InChIKey | ZBNXEWZFINRQKZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Property Insights of 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
The XLogP value of 4.7 indicates that 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(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 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 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-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one?
The CAS number of 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one is 167109-64-0.
What is the molecular formula of 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one?
The molecular formula of 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one is C17H10Cl2N4O3.
What is the molecular weight of 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one?
The molecular weight of 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one is 388.013 g/mol.
Where can I buy 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one?
You can request a quote for 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(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 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(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.