TL;DR: 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CAS 126213-55-6) is a chemical compound with molecular formula C16H26O2S and molecular weight 282.16534 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
Also Known As: 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine, 2-decyl-2H,3H-thieno[3,4-b][1,4]dioxine, 3,4-(1,2-Dodecanediylbisoxy)thiophene, 3-decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine, J1.438.111B
| Molecular Formula | C16H26O2S |
| Molecular Weight | 282.16534 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 282.16534 Da |
| Heavy Atoms | 19 |
| Complexity | 235.0 |
| SMILES | CCCCCCCCCCC1COC2=CSC=C2O1 |
| InChIKey | VTCXNUFHLUPLOT-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.7 Ų, 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is 126213-55-6.
The molecular formula of 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is C16H26O2S.
The molecular weight of 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is 282.16534 g/mol.
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