TL;DR: 1-Dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine (CAS 1246304-47-1) is a chemical compound with molecular formula C30H60NO8P and molecular weight 593.40564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] tridecanoate
Also Known As: phosphatidylethanolamine, PE 25:0, 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine, PE(12:0/13:0), 1,2-Distearoyl-sn-glycerophosphoethanolamine
| Molecular Formula | C30H60NO8P |
| Molecular Weight | 593.40564 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 32 |
| Exact Mass | 593.40564 Da |
| Heavy Atoms | 40 |
| Complexity | 649.0 |
| SMILES | CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCN |
| InChIKey | PGDKJXWZRREZOX-MUUNZHRXSA-N |
The XLogP value of 6.5 indicates that 1-Dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine. Following Lipinski's Rule of Five, 1-Dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine is 1246304-47-1.
The molecular formula of 1-Dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine is C30H60NO8P.
The molecular weight of 1-Dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine is 593.40564 g/mol.
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