TL;DR: 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole (CAS 102651-69-4) is a chemical compound with molecular formula C21H31NO2 and molecular weight 329.23547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-heptan-2-yloxy-1H-indol-7-yl)cyclohexan-1-ol
Also Known As: HOCHI, 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole, 3-(4-heptan-2-yloxy-1H-indol-7-yl)cyclohexan-1-ol, 3-(4-(Heptan-2-yloxy)-1H-indol-7-yl)cyclohexanol, Cyclohexanol,3-[4-[(1-methylhexyl)oxy]-1H-indol-7-yl]-
| Molecular Formula | C21H31NO2 |
| Molecular Weight | 329.23547 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.23547 Da |
| Heavy Atoms | 24 |
| Complexity | 375.0 |
| SMILES | CCCCCC(C)OC1=C2C=CNC2=C(C=C1)C3CCCC(C3)O |
| InChIKey | DXXCPIUNUQXSEP-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole is 102651-69-4.
The molecular formula of 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole is C21H31NO2.
The molecular weight of 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole is 329.23547 g/mol.
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