TL;DR: ((1-(Chloromethyl)-2-(octyloxy)ethoxy)methyl)oxirane (CAS 93762-38-0) is a chemical compound with molecular formula C14H27ClO3 and molecular weight 278.1649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1-chloro-3-octoxypropan-2-yl)oxymethyl]oxirane
Also Known As: EINECS 297-751-1, ((1-(Chloromethyl)-2-(octyloxy)ethoxy)methyl)oxirane, [[1-(Chloromethyl)-2-(octyloxy)ethoxy]methyl]oxirane, 2-[(1-chloro-3-octoxypropan-2-yl)oxymethyl]oxirane, 2-({[1-CHLORO-3-(OCTYLOXY)PROPAN-2-YL]OXY}METHYL)OXIRANE
| Molecular Formula | C14H27ClO3 |
| Molecular Weight | 278.1649 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 31.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 278.1649 Da |
| Heavy Atoms | 18 |
| Complexity | 190.0 |
| SMILES | CCCCCCCCOCC(CCl)OCC1CO1 |
| InChIKey | QJCYYVDJEYLVQG-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that ((1-(Chloromethyl)-2-(octyloxy)ethoxy)methyl)oxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.0 Ų, ((1-(Chloromethyl)-2-(octyloxy)ethoxy)methyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1-(Chloromethyl)-2-(octyloxy)ethoxy)methyl)oxirane 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-(Chloromethyl)-2-(octyloxy)ethoxy)methyl)oxirane is 93762-38-0.
The molecular formula of ((1-(Chloromethyl)-2-(octyloxy)ethoxy)methyl)oxirane is C14H27ClO3.
The molecular weight of ((1-(Chloromethyl)-2-(octyloxy)ethoxy)methyl)oxirane is 278.1649 g/mol.
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