TL;DR: 125I-Fapp (CAS 124436-31-3) is a chemical compound with molecular formula C27H28F2IN5O and molecular weight 603.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-azido-3-iodophenyl)ethyl]-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
Also Known As: 125I-Fapp, 1-(2-(bis-(4-fluorophenyl)methoxy)ethyl)-4-(2-(4-azido-3-iodophenyl)ethyl)piperazine, 1-[2-(4-azido-3-iodophenyl)ethyl]-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine, 1-(2-(Bis(4-fluorophenyl)methoxy]ethyl)-4-(2-(4-azido-3-(125I)iodophenyl)ethyl)piperazine, Piperazine,1-[2-(4-azido-3-iodophenyl)ethyl]-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-
| Molecular Formula | C27H28F2IN5O |
| Molecular Weight | 603.1307 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 30.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 603.1307 Da |
| Heavy Atoms | 36 |
| Complexity | 668.0 |
| SMILES | C1CN(CCN1CCC2=CC(=C(C=C2)N=[N+]=[N-])I)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F |
| InChIKey | KLFMCCLJVZSQJO-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that 125I-Fapp is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.1 Ų, 125I-Fapp exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 125I-Fapp has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 125I-Fapp is 124436-31-3.
The molecular formula of 125I-Fapp is C27H28F2IN5O.
The molecular weight of 125I-Fapp is 603.1307 g/mol.
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