TL;DR: 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one (CAS 1022457-36-8) is a chemical compound with molecular formula C24H21ClN6OS and molecular weight 476.11862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one, 1-(4-chlorophenyl)-2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
| Molecular Formula | C24H21ClN6OS |
| Molecular Weight | 476.11862 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.11862 Da |
| Heavy Atoms | 33 |
| Complexity | 679.0 |
| SMILES | CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)C5=CC=C(C=C5)Cl)C |
| InChIKey | NHEWKHQPHAHELA-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is 1022457-36-8.
The molecular formula of 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is C24H21ClN6OS.
The molecular weight of 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is 476.11862 g/mol.
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