TL;DR: Flumedroxone (CAS 1596-98-1) is a chemical compound with molecular formula C22H29F3O3 and molecular weight 398.20688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,10R,13S,17S)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Flumedroxone, KST-1A1794, (6, A,8xi,9xi,14xi,17, A)-17-hydroxy-6-(trifluoromethyl)pregn-4-ene-3,20-dione
| Molecular Formula | C22H29F3O3 |
| Molecular Weight | 398.20688 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.20688 Da |
| Heavy Atoms | 28 |
| Complexity | 757.0 |
| SMILES | CC(=O)[C@@]1(CCC2[C@@]1(CCC3C2C[C@@H](C4=CC(=O)CC[C@]34C)C(F)(F)F)C)O |
| InChIKey | CDZJOBWKHSYNMO-BQVNIZPZSA-N |
The XLogP value of 3.9 indicates that Flumedroxone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Flumedroxone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flumedroxone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Flumedroxone is 1596-98-1.
The molecular formula of Flumedroxone is C22H29F3O3.
The molecular weight of Flumedroxone is 398.20688 g/mol.
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