TL;DR: Org 20599 (CAS 156685-94-8) is a chemical compound with molecular formula C25H40ClNO3 and molecular weight 437.26968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-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: ORG 20599, Org 20599 free base, 2-chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone, 2-chloro-1-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone, 2-chloro-1-((2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)ethanone
| Molecular Formula | C25H40ClNO3 |
| Molecular Weight | 437.26968 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.26968 Da |
| Heavy Atoms | 30 |
| Complexity | 667.0 |
| SMILES | C[C@]12CCC3C(C1CCC2C(=O)CCl)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C |
| InChIKey | NZFNABGZEQPYBX-NZVKSUHHSA-N |
The XLogP value of 4.9 indicates that Org 20599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Org 20599 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Org 20599 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Org 20599 is 156685-94-8.
The molecular formula of Org 20599 is C25H40ClNO3.
The molecular weight of Org 20599 is 437.26968 g/mol.
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