TL;DR: 2-Penten-1-ol, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, (1alpha(E),2beta)- (CAS 101859-55-6) is a chemical compound with molecular formula C24H28Cl2O2 and molecular weight 418.14664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-en-1-ol
Also Known As: 2-Penten-1-ol, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, (1alpha(E),2beta)-, (E)-5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-en-1-ol
| Molecular Formula | C24H28Cl2O2 |
| Molecular Weight | 418.14664 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.14664 Da |
| Heavy Atoms | 28 |
| Complexity | 432.0 |
| SMILES | C1CC[C@H]([C@@H](C1)CC/C=C/CO)OC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl |
| InChIKey | CIJBRUABSKYPFX-GGSMDUFJSA-N |
The XLogP value of 6.7 indicates that 2-Penten-1-ol, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, (1alpha(E),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-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, (1alpha(E),2beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Penten-1-ol, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, (1alpha(E),2beta)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Penten-1-ol, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, (1alpha(E),2beta)- is 101859-55-6.
The molecular formula of 2-Penten-1-ol, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, (1alpha(E),2beta)- is C24H28Cl2O2.
The molecular weight of 2-Penten-1-ol, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, (1alpha(E),2beta)- is 418.14664 g/mol.
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