TL;DR: N(6)-2-(4-Azido-3-iodophenyl)ethyladenosine (CAS 105811-49-2) is a chemical compound with molecular formula C18H19IN8O4 and molecular weight 536.05756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5R)-2-[6-[2-(4-azido-3-(125I)iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Azpnea, N(6)-2-(4-Azido-3-iodophenyl)ethyladenosine, N-{2-[4-Azido-3-(~125~I)iodophenyl]ethyl}adenosine, N-{2-[4-Azido-3-(~125~I)iodophenyl]ethyl}-9-pentofuranosyl-9H-purin-6-amine, (2R,3R,4S,5R)-2-[6-[2-(4-azido-3-(125I)iodanylphenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C18H19IN8O4 |
| Molecular Weight | 536.05756 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.05756 Da |
| Heavy Atoms | 31 |
| Complexity | 658.0 |
| SMILES | C1=CC(=C(C=C1CCNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[125I])N=[N+]=[N-] |
| InChIKey | JCAFOLRGWKNCGC-DVPMXGFESA-N |
The XLogP value of 3.2 indicates that N(6)-2-(4-Azido-3-iodophenyl)ethyladenosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting N(6)-2-(4-Azido-3-iodophenyl)ethyladenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(6)-2-(4-Azido-3-iodophenyl)ethyladenosine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N(6)-2-(4-Azido-3-iodophenyl)ethyladenosine is 105811-49-2.
The molecular formula of N(6)-2-(4-Azido-3-iodophenyl)ethyladenosine is C18H19IN8O4.
The molecular weight of N(6)-2-(4-Azido-3-iodophenyl)ethyladenosine is 536.05756 g/mol.
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