TL;DR: 3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one (CAS 153463-20-8) is a chemical compound with molecular formula C27H37F7O2 and molecular weight 526.2682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Also Known As: 3-Hhceo, (3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one, 3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one, 25,26,26,26,27,27,27-Heptafluoro-3-hydroxycholest-8(14)-en-15-one (3beta,5alpha)-, 3beta-Hydroxy-25,26,26,26,26,27,27-heptafluoro-5alpha-cholest-8(14)-en-15-one
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C27H37F7O2 |
| Molecular Weight | 526.2682 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.2682 Da |
| Heavy Atoms | 36 |
| Complexity | 893.0 |
| SMILES | C[C@H](CCCC(C(F)(F)F)(C(F)(F)F)F)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O |
| InChIKey | CBABDIQZPIMJTP-HSZKHUOXSA-N |
The XLogP value of 7.8 indicates that 3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one is 153463-20-8.
The molecular formula of 3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one is C27H37F7O2.
The molecular weight of 3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one is 526.2682 g/mol.
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