TL;DR: 8-hexyl-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one (CAS 131526-94-8) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-hexyl-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Also Known As: 8-hexyl-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one, 8-Hexyl-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one, BAS 00872501, 8-hexyl-7-hydroxy-1H,2H,3H,4H-cyclopenta[c]chromen-4-one, 8-hexyl-7-hydroxy-1H,2H,3H-cyclopenta[c]chromen-4-one
| Molecular Formula | C18H22O3 |
| Molecular Weight | 286.1569 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.1569 Da |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
| SMILES | CCCCCCC1=CC2=C(C=C1O)OC(=O)C3=C2CCC3 |
| InChIKey | HKRTWMSWQQWSPH-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 8-hexyl-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 8-hexyl-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-hexyl-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one has 1 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 8-hexyl-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one is 131526-94-8.
The molecular formula of 8-hexyl-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one is C18H22O3.
The molecular weight of 8-hexyl-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one is 286.1569 g/mol.
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