TL;DR: 3,3'-(Octadecylimino)bispropane-1,2-diol (CAS 60659-43-0) is a chemical compound with molecular formula C24H51NO4 and molecular weight 417.3818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2,3-dihydroxypropyl(octadecyl)amino]propane-1,2-diol
Also Known As: 3,3'- bispropane-1,2-diol, 3,3'-(Octadecylimino)bispropane-1,2-diol, 3,3'-(octadecylimino)dipropane-1,2-diol, Octadecylbis(2,3-dihydroxypropyl)amine, 1,2-Propanediol,3,3'-(octadecylimino)bis-
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C24H51NO4 |
| Molecular Weight | 417.3818 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 23 |
| Exact Mass | 417.3818 Da |
| Heavy Atoms | 29 |
| Complexity | 305.0 |
| SMILES | CCCCCCCCCCCCCCCCCCN(CC(CO)O)CC(CO)O |
| InChIKey | QCOZKOLXTLBJRT-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that 3,3'-(Octadecylimino)bispropane-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(Octadecylimino)bispropane-1,2-diol. Following Lipinski's Rule of Five, 3,3'-(Octadecylimino)bispropane-1,2-diol has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,3'-(Octadecylimino)bispropane-1,2-diol is 60659-43-0.
The molecular formula of 3,3'-(Octadecylimino)bispropane-1,2-diol is C24H51NO4.
The molecular weight of 3,3'-(Octadecylimino)bispropane-1,2-diol is 417.3818 g/mol.
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