2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
TL;DR: 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- (CAS 104940-90-1) is a chemical compound with molecular formula C11H8ClN3O and molecular weight 233.03558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Also Known As: 1H-Purin-2-amine,6-azido, 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-, 1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one, 2-Propen-1-one,1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-, 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C11H8ClN3O |
| Molecular Weight | 233.03558 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 | 233.03558 Da |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
| SMILES | C=C(C(=O)C1=CC=C(C=C1)Cl)N2C=NC=N2 |
| InChIKey | VCRNAYLEZMGAHK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
Property Insights of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-. With a topological polar surface area (TPSA) of 47.8 Ų, 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 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 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-?
The CAS number of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- is 104940-90-1.
What is the molecular formula of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-?
The molecular formula of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- is C11H8ClN3O.
What is the molecular weight of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-?
The molecular weight of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- is 233.03558 g/mol.
Where can I buy 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-?
You can request a quote for 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-?
Yes, CoreyChem provides custom synthesis services for 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.