TL;DR: Azidoiodoketanserin (CAS 136769-36-3) is a chemical compound with molecular formula C22H20FIN6O3 and molecular weight 560.06274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-azido-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-8-(125I)iodo-1H-quinazoline-2,4-dione
Also Known As: Azidoiodoketanserin, Azik cpd, 7-Azido-8-iodoketanserin, 125I-Azidoiodoketanserin, [125I]azidoiodoketanserin
| Molecular Formula | C22H20FIN6O3 |
| Molecular Weight | 560.06274 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 84.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 560.06274 Da |
| Heavy Atoms | 33 |
| Complexity | 808.0 |
| SMILES | C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C(=C(C=C4)N=[N+]=[N-])[125I])NC3=O |
| InChIKey | OALSEJAYBSRMHM-XXFZXMJFSA-N |
The XLogP value of 4.2 indicates that Azidoiodoketanserin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Azidoiodoketanserin. Following Lipinski's Rule of Five, Azidoiodoketanserin has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Azidoiodoketanserin is 136769-36-3.
The molecular formula of Azidoiodoketanserin is C22H20FIN6O3.
The molecular weight of Azidoiodoketanserin is 560.06274 g/mol.
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