TL;DR: Glycine, N,N-diethyl-, (2beta,5alpha,17alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester (CAS 142546-51-8) is a chemical compound with molecular formula C28H41NO3 and molecular weight 439.30865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3aS,3bS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl] 2-(diethylamino)acetate
Also Known As: Glycine, N,N-diethyl-, (2beta,5alpha,17alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester, Glycine, N,N-diethyl-, (2-beta,5-alpha,17-alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester, (2R,3aS,3bS)-2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl N,N-diethylglycinate, [(2R,3aS,3bS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl] 2-(diethylamino)acetate, 2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl N,N-diethylglycinate
| Molecular Formula | C28H41NO3 |
| Molecular Weight | 439.30865 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.30865 Da |
| Heavy Atoms | 32 |
| Complexity | 860.0 |
| SMILES | CCN(CC)CC(=O)O[C@@]1(CC2CCC3[C@@H]([C@]2(C1)C)CCC4(C3CCC4(C#C)O)C)C#C |
| InChIKey | HHVPLNURXZZGOP-CZHMCQKUSA-N |
The XLogP value of 5.0 indicates that Glycine, N,N-diethyl-, (2beta,5alpha,17alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Glycine, N,N-diethyl-, (2beta,5alpha,17alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glycine, N,N-diethyl-, (2beta,5alpha,17alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester 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 Glycine, N,N-diethyl-, (2beta,5alpha,17alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester is 142546-51-8.
The molecular formula of Glycine, N,N-diethyl-, (2beta,5alpha,17alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester is C28H41NO3.
The molecular weight of Glycine, N,N-diethyl-, (2beta,5alpha,17alpha)-2-ethynyl-17-hydroxy-A-norpregn-20-yn-2-yl ester is 439.30865 g/mol.
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