TL;DR: Di-(8-methylstearoyl)phosphatidylcholine (CAS 114927-92-3) is a chemical compound with molecular formula C46H92NO8P and molecular weight 817.65607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(8-methyloctadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Dspc-8M, Di-(8-methylstearoyl)phosphatidylcholine, 2,3-bis(8-methyloctadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate, 2,3-Bis[(8-methyloctadecanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate, 2-[2,3-bis(8-methyloctadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
| Molecular Formula | C46H92NO8P |
| Molecular Weight | 817.65607 g/mol |
| XLogP | 16.1 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 44 |
| Exact Mass | 817.65607 Da |
| Heavy Atoms | 56 |
| Complexity | 950.0 |
| SMILES | CCCCCCCCCCC(C)CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC(C)CCCCCCCCCC |
| InChIKey | CJASOXBQLCLECD-UHFFFAOYSA-N |
The XLogP value of 16.1 indicates that Di-(8-methylstearoyl)phosphatidylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-(8-methylstearoyl)phosphatidylcholine. Following Lipinski's Rule of Five, Di-(8-methylstearoyl)phosphatidylcholine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Di-(8-methylstearoyl)phosphatidylcholine is 114927-92-3.
The molecular formula of Di-(8-methylstearoyl)phosphatidylcholine is C46H92NO8P.
The molecular weight of Di-(8-methylstearoyl)phosphatidylcholine is 817.65607 g/mol.
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