TL;DR: 1,4-Dioxane-(2LH8) (CAS 17647-74-4) is a chemical compound with molecular formula C4H8O2 and molecular weight 96.102646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,3,5,5,6,6-octadeuterio-1,4-dioxane
Also Known As: 1,4-Dioxane-d8, p-Dioxane-d8, Octadeuterodioxane, Dioxane, Dioxane D8
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H8O2 |
| Molecular Weight | 96.102646 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.102646 Da |
| Heavy Atoms | 6 |
| Complexity | 26.0 |
| SMILES | [2H]C1(C(OC(C(O1)([2H])[2H])([2H])[2H])([2H])[2H])[2H] |
| InChIKey | RYHBNJHYFVUHQT-SVYQBANQSA-N |
The XLogP value of -0.3 indicates that 1,4-Dioxane-(2LH8) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Dioxane-(2LH8) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxane-(2LH8) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Dioxane-(2LH8) is 17647-74-4.
The molecular formula of 1,4-Dioxane-(2LH8) is C4H8O2.
The molecular weight of 1,4-Dioxane-(2LH8) is 96.102646 g/mol.
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