2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-
TL;DR: 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)- (CAS 104941-10-8) is a chemical compound with molecular formula C12H10ClN3O and molecular weight 247.05124 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-ylmethyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 1-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one, 2-Propen-1-one,1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 1-(4-Chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-en-1-one, (3aR,4R,6S,6aS)-4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbonyl chloride
Technical Specifications
| Molecular Formula | C12H10ClN3O |
| Molecular Weight | 247.05124 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.05124 Da |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| SMILES | C=C(CN1C=NC=N1)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | YFCUEDBAIIKNIQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-
Property Insights of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-. 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-ylmethyl)- 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-ylmethyl)- 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-ylmethyl)-?
The CAS number of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)- is 104941-10-8.
What is the molecular formula of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-?
The molecular formula of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)- is C12H10ClN3O.
What is the molecular weight of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-?
The molecular weight of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)- is 247.05124 g/mol.
Where can I buy 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-?
You can request a quote for 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)- 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-ylmethyl)-?
Yes, CoreyChem provides custom synthesis services for 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.