TL;DR: Butyric acid, 4-((3-hydroxy-2,4,6-triiodophenyl)propylamino)-4-oxo- (CAS 105150-74-1) is a chemical compound with molecular formula C13H14I3NO4 and molecular weight 628.8057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-hydroxy-2,4,6-triiodo-N-propylanilino)-4-oxobutanoic acid
Also Known As: 3'-Hydroxy-2',4',6'-triiodo-N-propylsuccinanilic acid, 4-(3-hydroxy-2,4,6-triiodo-N-propylanilino)-4-oxobutanoic acid, N-Propyl-N-(2,4,6-trijod-3-hydroxyphenyl)-succinamidsaeure, N-Propyl-N-(2,4,6-trijod-3-hydroxyphenyl)-succinamidsaeure [German], Succinanilic acid, 3'-hydroxy-2',4',6'-triiodo-N-propyl-
| Molecular Formula | C13H14I3NO4 |
| Molecular Weight | 628.8057 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 628.8057 Da |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
| SMILES | CCCN(C1=C(C(=C(C=C1I)I)O)I)C(=O)CCC(=O)O |
| InChIKey | VSDUMHXFCUCZKA-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Butyric acid, 4-((3-hydroxy-2,4,6-triiodophenyl)propylamino)-4-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 4-((3-hydroxy-2,4,6-triiodophenyl)propylamino)-4-oxo-. Following Lipinski's Rule of Five, Butyric acid, 4-((3-hydroxy-2,4,6-triiodophenyl)propylamino)-4-oxo- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Butyric acid, 4-((3-hydroxy-2,4,6-triiodophenyl)propylamino)-4-oxo- is 105150-74-1.
The molecular formula of Butyric acid, 4-((3-hydroxy-2,4,6-triiodophenyl)propylamino)-4-oxo- is C13H14I3NO4.
The molecular weight of Butyric acid, 4-((3-hydroxy-2,4,6-triiodophenyl)propylamino)-4-oxo- is 628.8057 g/mol.
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