TL;DR: Pregnanolone (CAS 128-20-1) is a chemical compound with molecular formula C21H34O2 and molecular weight 318.2559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Pregnanolone, Eltanolona, Eltanolonum, Pregnanolone II, Allopregnanolone
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H34O2 |
| Molecular Weight | 318.2559 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.2559 Da |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | AURFZBICLPNKBZ-YZRLXODZSA-N |
The XLogP value of 4.9 indicates that Pregnanolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Pregnanolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregnanolone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pregnanolone is 128-20-1.
The molecular formula of Pregnanolone is C21H34O2.
The molecular weight of Pregnanolone is 318.2559 g/mol.
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