TL;DR: Liothyronine I 125 (CAS 15785-49-6) is a chemical compound with molecular formula C15H12I3NO4 and molecular weight 644.7905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-[4-(4-hydroxy-3-(125I)iodophenoxy)-3,5-di(125I)iodophenyl]propanoic acid
Also Known As: Liothyronine I 125, Liothyronine I-125, Liothyronine (125I), Liothyronine I 131, Triomet-125 (TN)
| Molecular Formula | C15H12I3NO4 |
| Molecular Weight | 644.7905 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 644.7905 Da |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
| SMILES | C1=CC(=C(C=C1OC2=C(C=C(C=C2[125I])C[C@@H](C(=O)O)N)[125I])[125I])O |
| InChIKey | AUYYCJSJGJYCDS-QBYPCAMJSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Liothyronine I 125. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Liothyronine I 125. Following Lipinski's Rule of Five, Liothyronine I 125 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Liothyronine I 125 is 15785-49-6.
The molecular formula of Liothyronine I 125 is C15H12I3NO4.
The molecular weight of Liothyronine I 125 is 644.7905 g/mol.
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