TL;DR: Itf 258 (CAS 129480-26-8) is a chemical compound with molecular formula C25H52N2O3 and molecular weight 428.3978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[butyl-[methyl(propyl)amino]amino]hexadecan-7-yl hydrogen carbonate
Also Known As: Itf 258, Bis-N,N-dibutylamino-butylene carbonate, 4-(Dibutylamino)-1-butanol carbonate (2:1) (ester), 10-[butyl-[methyl(propyl)amino]amino]hexadecan-7-yl hydrogen carbonate, 1-Butanol, 4-(dibutylamino)-, carbonate (2:1) (ester)
| Molecular Formula | C25H52N2O3 |
| Molecular Weight | 428.3978 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Exact Mass | 428.3978 Da |
| Heavy Atoms | 30 |
| Complexity | 393.0 |
| SMILES | CCCCCCC(CCC(CCCCCC)OC(=O)O)N(CCCC)N(C)CCC |
| InChIKey | VXIXUESAKLOYKH-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that Itf 258 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, Itf 258 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Itf 258 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Itf 258 is 129480-26-8.
The molecular formula of Itf 258 is C25H52N2O3.
The molecular weight of Itf 258 is 428.3978 g/mol.
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