TL;DR: 1-Propanaminium, N,N,N-trimethyl-2,3-bis(9-octadecenyloxy)-, (Z,Z)- (CAS 122342-03-4) is a chemical compound with molecular formula C42H84NO2+ and molecular weight 634.6502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(octadec-9-enoxy)propyl-trimethylazanium
Also Known As: 1-Propanaminium, N,N,N-trimethyl-2,3-bis(9-octadecenyloxy)-, (Z,Z)-
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C42H84NO2+ |
| Molecular Weight | 634.6502 g/mol |
| XLogP | 15.9 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 37 |
| Exact Mass | 634.6502 Da |
| Heavy Atoms | 45 |
| Complexity | 608.0 |
| SMILES | CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC |
| InChIKey | RYOFERRMXDATKG-UHFFFAOYSA-N |
The XLogP value of 15.9 indicates that 1-Propanaminium, N,N,N-trimethyl-2,3-bis(9-octadecenyloxy)-, (Z,Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-Propanaminium, N,N,N-trimethyl-2,3-bis(9-octadecenyloxy)-, (Z,Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanaminium, N,N,N-trimethyl-2,3-bis(9-octadecenyloxy)-, (Z,Z)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Propanaminium, N,N,N-trimethyl-2,3-bis(9-octadecenyloxy)-, (Z,Z)- is 122342-03-4.
The molecular formula of 1-Propanaminium, N,N,N-trimethyl-2,3-bis(9-octadecenyloxy)-, (Z,Z)- is C42H84NO2+.
The molecular weight of 1-Propanaminium, N,N,N-trimethyl-2,3-bis(9-octadecenyloxy)-, (Z,Z)- is 634.6502 g/mol.
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