TL;DR: 2-Penten-1-ol, 5-(2-((4-bromophenyl)methoxy)cyclohexyl)-, (1alpha(Z),2beta)- (CAS 101859-48-7) is a chemical compound with molecular formula C18H25BrO2 and molecular weight 352.1038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-5-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]pent-2-en-1-ol
Also Known As: 2-Penten-1-ol, 5-(2-((4-bromophenyl)methoxy)cyclohexyl)-, (1alpha(Z),2beta)-, (E)-5-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]pent-2-en-1-ol
| Molecular Formula | C18H25BrO2 |
| Molecular Weight | 352.1038 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.1038 Da |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
| SMILES | C1CC[C@@H]([C@H](C1)CC/C=C/CO)OCC2=CC=C(C=C2)Br |
| InChIKey | KMSRBECMORYEGZ-VLPHYJEBSA-N |
The XLogP value of 4.4 indicates that 2-Penten-1-ol, 5-(2-((4-bromophenyl)methoxy)cyclohexyl)-, (1alpha(Z),2beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Penten-1-ol, 5-(2-((4-bromophenyl)methoxy)cyclohexyl)-, (1alpha(Z),2beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Penten-1-ol, 5-(2-((4-bromophenyl)methoxy)cyclohexyl)-, (1alpha(Z),2beta)- 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 2-Penten-1-ol, 5-(2-((4-bromophenyl)methoxy)cyclohexyl)-, (1alpha(Z),2beta)- is 101859-48-7.
The molecular formula of 2-Penten-1-ol, 5-(2-((4-bromophenyl)methoxy)cyclohexyl)-, (1alpha(Z),2beta)- is C18H25BrO2.
The molecular weight of 2-Penten-1-ol, 5-(2-((4-bromophenyl)methoxy)cyclohexyl)-, (1alpha(Z),2beta)- is 352.1038 g/mol.
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