TL;DR: 2,2'-[1,4-Phenylenebis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium) (CAS 16051-86-8) is a chemical compound with molecular formula C18H30N2O4+2 and molecular weight 338.22055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[2-[4-[2-(trimethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium
Also Known As: J1.640.804B, 2,2'-(Terephthaloyldioxy)bis(N,N,N-trimethylethanaminium), 2,2 -(Terephthaloyldioxy)bis(N,N,N-trimethylethanaminium), 2,2'-[1,4-Phenylenebis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium), Ethanaminium, 2,2a(2)-[1,4-phenylenebis(carbonyloxy)]bis[N,N,N-trimethyl-
| Molecular Formula | C18H30N2O4+2 |
| Molecular Weight | 338.22055 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.22055 Da |
| Heavy Atoms | 24 |
| Complexity | 376.0 |
| SMILES | C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)C(=O)OCC[N+](C)(C)C |
| InChIKey | MOYSAFQAXKVRQK-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2,2'-[1,4-Phenylenebis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2'-[1,4-Phenylenebis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-[1,4-Phenylenebis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2'-[1,4-Phenylenebis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium) is 16051-86-8.
The molecular formula of 2,2'-[1,4-Phenylenebis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium) is C18H30N2O4+2.
The molecular weight of 2,2'-[1,4-Phenylenebis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium) is 338.22055 g/mol.
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