TL;DR: 2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione (CAS 160455-72-1) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
Also Known As: 2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione, 1H,5H-(1,2,4)Triazolo(1,2-a)(1,2,4)triazole-1,5-dione, tetrahydro-2,6-bis(oxiranylmethyl)-3,7-diphenyl-, 1H,5H-(1,2,4)Triazolo(1,2-a)(1,2,4)triazole-1,5-dione,tetrahydro-2,6-bis(oxiranylmethyl)-3,7-diphenyl, 1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dione,tetrahydro-2,6-bis(2-oxiranylmethyl)-3,7-diphenyl-, 2,6-bis(oxiran-2-ylmethyl)-3,7-diphenyltetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione
| Molecular Formula | C22H22N4O4 |
| Molecular Weight | 406.1641 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1641 Da |
| Heavy Atoms | 30 |
| Complexity | 635.0 |
| SMILES | C1C(O1)CN2C(N3C(=O)N(C(N3C2=O)C4=CC=CC=C4)CC5CO5)C6=CC=CC=C6 |
| InChIKey | JNKSXJHURXOFMG-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione. Following Lipinski's Rule of Five, 2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione is 160455-72-1.
The molecular formula of 2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione is C22H22N4O4.
The molecular weight of 2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione is 406.1641 g/mol.
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