TL;DR: Thiophene, tetrahydro-3-(octadecyloxy)-, 1,1-dioxide (CAS 13415-41-3) is a chemical compound with molecular formula C22H44O3S and molecular weight 388.30112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-octadecoxythiolane 1,1-dioxide
Also Known As: 3-octadecoxythiolane 1,1-dioxide, 3-octadecyloxythiolane-1,1-dione, BAS 00201841, Thiophene, tetrahydro-3-(octadecyloxy)-, 1,1-dioxide, 1,1-dioxidotetrahydro-3-thienyl octadecyl ether
| Molecular Formula | C22H44O3S |
| Molecular Weight | 388.30112 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 388.30112 Da |
| Heavy Atoms | 26 |
| Complexity | 400.0 |
| SMILES | CCCCCCCCCCCCCCCCCCOC1CCS(=O)(=O)C1 |
| InChIKey | MVFKZKKZEDBEOF-UHFFFAOYSA-N |
The XLogP value of 8.5 indicates that Thiophene, tetrahydro-3-(octadecyloxy)-, 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Thiophene, tetrahydro-3-(octadecyloxy)-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, tetrahydro-3-(octadecyloxy)-, 1,1-dioxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiophene, tetrahydro-3-(octadecyloxy)-, 1,1-dioxide is 13415-41-3.
The molecular formula of Thiophene, tetrahydro-3-(octadecyloxy)-, 1,1-dioxide is C22H44O3S.
The molecular weight of Thiophene, tetrahydro-3-(octadecyloxy)-, 1,1-dioxide is 388.30112 g/mol.
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