TL;DR: 2'-Iodospiperone (CAS 103446-46-4) is a chemical compound with molecular formula C23H25FIN3O2 and molecular weight 521.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[4-(4-fluoro-2-iodophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 2'-Iodospiperone, 2/'-Iodospiperone, 2'-Isp, 2 -Iodospiperone, 8-[4-(4-fluoro-2-iodophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
| Molecular Formula | C23H25FIN3O2 |
| Molecular Weight | 521.09753 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.09753 Da |
| Heavy Atoms | 30 |
| Complexity | 620.0 |
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=C(C=C(C=C4)F)I |
| InChIKey | WNZBTQBAZJTZST-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2'-Iodospiperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, 2'-Iodospiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Iodospiperone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-Iodospiperone is 103446-46-4.
The molecular formula of 2'-Iodospiperone is C23H25FIN3O2.
The molecular weight of 2'-Iodospiperone is 521.09753 g/mol.
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