TL;DR: 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-(4-methoxyphenyl)- (CAS 98123-78-5) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-(4-methoxyphenyl)-, 6-(Ethylthio)-3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazine, 6-ethylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine, 1,2,4-Triazolo(3,4-a)phthalazine,6-(ethylthio)-3-(4-methoxyphenyl), 6-(Ethylsulfanyl)-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C18H16N4OS |
| Molecular Weight | 336.1045 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.1045 Da |
| Heavy Atoms | 24 |
| Complexity | 418.0 |
| SMILES | CCSC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC |
| InChIKey | OOULXBGPPICZBS-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-(4-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-(4-methoxyphenyl)-. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-(4-methoxyphenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-(4-methoxyphenyl)- is 98123-78-5.
The molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-(4-methoxyphenyl)- is C18H16N4OS.
The molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-(4-methoxyphenyl)- is 336.1045 g/mol.
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