TL;DR: Hoe 065 (CAS 123060-44-6) is a chemical compound with molecular formula C35H52N2O9 and molecular weight 644.3673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate
Also Known As: RA-octil, Hoe 065, Hoe065, Cyclopenta(c)pyrrole-1-carboxylic acid, 2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydro-, octyl ester, (1S-(1-alpha,2-(R*(R*)),3a-beta,6a-alpha))-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate
| Molecular Formula | C35H52N2O9 |
| Molecular Weight | 644.3673 g/mol |
| XLogP | 4.9141 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 644.3673 Da |
| Heavy Atoms | 46 |
| Complexity | 857.0 |
| SMILES | CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC.C(=C/C(=O)O)\C(=O)O |
| InChIKey | RCEDCOCCCMIKCY-ZVCJTHDASA-N |
The XLogP value of 4.9141 indicates that Hoe 065 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting Hoe 065 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hoe 065 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Hoe 065 is 123060-44-6.
The molecular formula of Hoe 065 is C35H52N2O9.
The molecular weight of Hoe 065 is 644.3673 g/mol.
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