TL;DR: 1,3-Dioxolane, 4-[(2-chloroethoxy)methyl]-2-(trichloromethyl)- (CAS 113308-20-6) is a chemical compound with molecular formula C7H10Cl4O3 and molecular weight 281.93842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-chloroethoxymethyl)-2-(trichloromethyl)-1,3-dioxolane
Also Known As: 4-(2-chloroethoxymethyl)-2-(trichloromethyl)-1,3-dioxolane, 1,3-Dioxolane, 4-[(2-chloroethoxy)methyl]-2-(trichloromethyl)-, 1,3-Dioxolane,4-[(2-chloroethoxy)methyl]-2-(trichloromethyl), 2-chloro-1-{[2-(trichloromethyl)(1,3-dioxolan-4-yl)]methoxy}ethane, 4-[(2-CHLOROETHOXY)METHYL]-2-(TRICHLOROMETHYL)-1,3-DIOXOLANE
| Molecular Formula | C7H10Cl4O3 |
| Molecular Weight | 281.93842 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.93842 Da |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
| SMILES | C1C(OC(O1)C(Cl)(Cl)Cl)COCCCl |
| InChIKey | BZHPXLBJYOPNPE-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane, 4-[(2-chloroethoxy)methyl]-2-(trichloromethyl)-. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Dioxolane, 4-[(2-chloroethoxy)methyl]-2-(trichloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane, 4-[(2-chloroethoxy)methyl]-2-(trichloromethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Dioxolane, 4-[(2-chloroethoxy)methyl]-2-(trichloromethyl)- is 113308-20-6.
The molecular formula of 1,3-Dioxolane, 4-[(2-chloroethoxy)methyl]-2-(trichloromethyl)- is C7H10Cl4O3.
The molecular weight of 1,3-Dioxolane, 4-[(2-chloroethoxy)methyl]-2-(trichloromethyl)- is 281.93842 g/mol.
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