TL;DR: CTK8D5204 (CAS 99670-21-0) is a chemical compound with molecular formula C37H58O18 and molecular weight 790.3623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-diacetyloxy-4-[2-(2,3-diacetyloxy-3-carboxypropanoyl)oxy-3-octadecanoyloxypropoxy]-4-oxobutanoic acid
Also Known As: 4,4'-{[3-(octadecanoyloxy)propane-1,2-diyl]bis(oxy)}bis[2,3-bis(acetyloxy)-4-oxobutanoic acid], 1-(((1-Oxooctadecyl)oxy)methyl)ethylene 2,3-bis(acetoxy)succinate, 1-O-Stearoyl-2-O,3-O-bis(3-carboxy-2,3-diacetoxypropionyl)glycerin, 2,3-BIS(ACETYLOXY)-4-[(1-{[2,3-BIS(ACETYLOXY)-3-CARBOXYPROPANOYL]OXY}-3-(OCTADECANOYLOXY)PROPAN-2-YL)OXY]-4-OXOBUTANOIC ACID, 2,3-Diacetoxysuccinic acid 4-[2-(2,3-diacetoxy-3-carboxypropionyloxy)-3-(stearoyloxy)propyl] ester
| Molecular Formula | C37H58O18 |
| Molecular Weight | 790.3623 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 259.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 38 |
| Exact Mass | 790.3623 Da |
| Heavy Atoms | 55 |
| Complexity | 1250.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C(C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C(C(C(=O)O)OC(=O)C)OC(=O)C |
| InChIKey | MGNDTAFZQITDRD-UHFFFAOYSA-N |
The XLogP value of 7.3 indicates that CTK8D5204 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 259.0 Ų indicates high polarity, suggesting CTK8D5204 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK8D5204 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CTK8D5204 is 99670-21-0.
The molecular formula of CTK8D5204 is C37H58O18.
The molecular weight of CTK8D5204 is 790.3623 g/mol.
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