TL;DR: N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine (CAS 115044-45-6) is a chemical compound with molecular formula C64H102N3O14PS2 and molecular weight 1231.654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylsulfamoyl]benzenesulfonate
Also Known As: Nlrbs-dppc, N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine, N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine, 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylsulfamoyl]benzenesulfonate, 2-[6-(diethylamino)-3-(diethyliminio)-3h-xanthen-9-yl]-5-{[7-(hexadecanoyloxy)-4-hydroxy-4-oxido-10-oxo-3,5,9-trioxa-4
| Molecular Formula | C64H102N3O14PS2 |
| Molecular Weight | 1231.654 g/mol |
| XLogP | 15.7 |
| Topological Polar Surface Area (TPSA) | 244.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 48 |
| Exact Mass | 1231.654 Da |
| Heavy Atoms | 84 |
| Complexity | 2240.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNS(=O)(=O)C1=CC(=C(C=C1)C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC)S(=O)(=O)[O-])OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | NHMNXIHGKOHXQR-UHFFFAOYSA-N |
The XLogP value of 15.7 indicates that N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 244.0 Ų indicates high polarity, suggesting N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine is 115044-45-6.
The molecular formula of N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine is C64H102N3O14PS2.
The molecular weight of N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine is 1231.654 g/mol.
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