TL;DR: 1,2-Bis(10,12-tricosadiynyl)glycero-3-phosphocholine (CAS 143062-81-1) is a chemical compound with molecular formula C54H96NO6P and molecular weight 885.6975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(tricosa-10,12-diynoxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 1,2-Btgpc, 2,3-Btgpc, 1,2-Bis(10,12-tricosadiynyl)glycero-3-phosphocholine, 2,3-bis(tricosa-10,12-diynoxy)propyl 2-(trimethylazaniumyl)ethyl phosphate, 2,3-O-Bis(10,12-tricosadiynyl)glycero-1-phosphocholine
| Molecular Formula | C54H96NO6P |
| Molecular Weight | 885.6975 g/mol |
| XLogP | 18.1 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 46 |
| Exact Mass | 885.6975 Da |
| Heavy Atoms | 62 |
| Complexity | 1330.0 |
| SMILES | CCCCCCCCCCC#CC#CCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCC#CC#CCCCCCCCCCC |
| InChIKey | AFXWCJBJZJSOEP-UHFFFAOYSA-N |
The XLogP value of 18.1 indicates that 1,2-Bis(10,12-tricosadiynyl)glycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(10,12-tricosadiynyl)glycero-3-phosphocholine. Following Lipinski's Rule of Five, 1,2-Bis(10,12-tricosadiynyl)glycero-3-phosphocholine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2-Bis(10,12-tricosadiynyl)glycero-3-phosphocholine is 143062-81-1.
The molecular formula of 1,2-Bis(10,12-tricosadiynyl)glycero-3-phosphocholine is C54H96NO6P.
The molecular weight of 1,2-Bis(10,12-tricosadiynyl)glycero-3-phosphocholine is 885.6975 g/mol.
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