TL;DR: Ethanol, 1-(1-ethynylcyclohexyloxy)-2,2,2-tribromo- (CAS 73927-29-4) is a chemical compound with molecular formula C10H13Br3O2 and molecular weight 401.84656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-tribromo-1-(1-ethynylcyclohexyl)oxyethanol
Also Known As: 1-(1-Ethynylcyclohexyloxy)-2,2,2-tribromoethanol, 2,2,2-Tribromo-1-(1-ethynylcyclohexyloxy)-ethanol, ETHANOL, 1-(1-ETHYNYLCYCLOHEXYLOXY)-2,2,2-TRIBROMO-, 2,2,2-tribromo-1-(1-ethynylcyclohexyl)oxyethanol, 2,2,2-Tribromo-1-[(1-ethynylcyclohexyl)oxy]ethan-1-ol
| Molecular Formula | C10H13Br3O2 |
| Molecular Weight | 401.84656 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.8445 Da |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
| SMILES | C#CC1(CCCCC1)OC(C(Br)(Br)Br)O |
| InChIKey | PWBQCIQMIJWXSC-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Ethanol, 1-(1-ethynylcyclohexyloxy)-2,2,2-tribromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ethanol, 1-(1-ethynylcyclohexyloxy)-2,2,2-tribromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 1-(1-ethynylcyclohexyloxy)-2,2,2-tribromo- has 1 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 Ethanol, 1-(1-ethynylcyclohexyloxy)-2,2,2-tribromo- is 73927-29-4.
The molecular formula of Ethanol, 1-(1-ethynylcyclohexyloxy)-2,2,2-tribromo- is C10H13Br3O2.
The molecular weight of Ethanol, 1-(1-ethynylcyclohexyloxy)-2,2,2-tribromo- is 401.84656 g/mol.
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