TL;DR: 3,5-Diiodothyronine, L- (CAS 1041-01-6) is a chemical compound with molecular formula C15H13I2NO4 and molecular weight 524.8934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
Also Known As: 3,5-Diiodo-L-thyronine, Diiodothyronine, 3,5-Diiodothyronine, Diiodo-L-thyronine, L-3,5-Diiodothyronine
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H13I2NO4 |
| Molecular Weight | 524.8934 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.8934 Da |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
| SMILES | C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I |
| InChIKey | ZHSOTLOTTDYIIK-ZDUSSCGKSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diiodothyronine, L-. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diiodothyronine, L-. Following Lipinski's Rule of Five, 3,5-Diiodothyronine, L- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,5-Diiodothyronine, L- is 1041-01-6.
The molecular formula of 3,5-Diiodothyronine, L- is C15H13I2NO4.
The molecular weight of 3,5-Diiodothyronine, L- is 524.8934 g/mol.
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