TL;DR: C24H49N2O.CH3O4S (CAS 60585-57-1) is a chemical compound with molecular formula C25H52N2O5S and molecular weight 492.35968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl sulfate;trimethyl-[3-(octadec-9-enoylamino)propyl]azanium
Also Known As: N-(3-(Trimethylammonium)propyl)oleamide, methyl sulfate, 1-Propanaminium, N,N,N-trimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, methyl sulfate, 1-Propanaminium, N,N,N-trimethyl-3-(((9Z)-1-oxo-9-octadecenyl)amino)-, methyl sulfate, 1-Propanaminium, N,N,N-trimethyl-3-[(1-oxo-9-octadecenyl)amino]-, (Z)-, methyl sulfate, 1-Propanaminium, N,N,N-trimethyl-3-(((9Z)-1-oxo-9-octadecen-1-yl)amino)-, methyl sulfate (1:1)
| Molecular Formula | C25H52N2O5S |
| Molecular Weight | 492.35968 g/mol |
| XLogP | 5.33 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 492.35968 Da |
| Heavy Atoms | 33 |
| Complexity | 449.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-] |
| InChIKey | UENGIFWPRSJISU-UHFFFAOYSA-N |
The XLogP value of 5.33 indicates that C24H49N2O.CH3O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C24H49N2O.CH3O4S. Following Lipinski's Rule of Five, C24H49N2O.CH3O4S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C24H49N2O.CH3O4S is 60585-57-1.
The molecular formula of C24H49N2O.CH3O4S is C25H52N2O5S.
The molecular weight of C24H49N2O.CH3O4S is 492.35968 g/mol.
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