TL;DR: Succinic acid, 2-(3-acetamido-2,4,6-triodobenzyl)- (CAS 10590-40-6) is a chemical compound with molecular formula C13H12I3NO5 and molecular weight 642.785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanedioic acid
Also Known As: 2-(3-Acetamido-2,4,6-triiodobenzyl)succinic acid, Succinic acid, 2-(3-acetamido-2,4,6-triodobenzyl)-, Acido 2-(3-acetilamino-2,4,6-triiodobenzil)succinico, Acido 2-(3-acetilamino-2,4,6-triiodobenzil)succinico [Italian], 2-(3-Acetylamino-2,4,6-triiodobenzyl)succinic acid
| Molecular Formula | C13H12I3NO5 |
| Molecular Weight | 642.785 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 642.785 Da |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)CC(CC(=O)O)C(=O)O)I)I |
| InChIKey | AUEKXOWKYHKVFZ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Succinic acid, 2-(3-acetamido-2,4,6-triodobenzyl)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinic acid, 2-(3-acetamido-2,4,6-triodobenzyl)-. Following Lipinski's Rule of Five, Succinic acid, 2-(3-acetamido-2,4,6-triodobenzyl)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Succinic acid, 2-(3-acetamido-2,4,6-triodobenzyl)- is 10590-40-6.
The molecular formula of Succinic acid, 2-(3-acetamido-2,4,6-triodobenzyl)- is C13H12I3NO5.
The molecular weight of Succinic acid, 2-(3-acetamido-2,4,6-triodobenzyl)- is 642.785 g/mol.
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