TL;DR: Quaternium 73 (CAS 1619969-13-9) is a chemical compound with molecular formula C23H39IN2S2 and molecular weight 534.1599 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-heptyl-2-[(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazole iodide
Also Known As: Quaternium 73, 3-Heptyl-2-((3-heptyl-4-methylthiazol-2(3H)-ylidene)methyl)-4-methylthiazol-3-ium iodide, 3-HEPTYL-2-[(3-HEPTYL-4-METHYL-3H-THIAZOL-2-YLIDENE)METHYL]-4-METHYLTHIAZOLIUM IODIDE, 3-Heptyl-2-[(3-heptyl-4-methyl-4-thiazolin-2-ylidene)methyl]-4-methylthialzolium iodide, 3-heptyl-2-[(3-heptyl-4-methyl-thiazol-3-ium-2-yl)methylene]-4-methyl-thiazole;iodide
| Molecular Formula | C23H39IN2S2 |
| Molecular Weight | 534.1599 g/mol |
| XLogP | 4.49732 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 534.1599 Da |
| Heavy Atoms | 28 |
| Complexity | 434.0 |
| SMILES | CCCCCCCN1C(=CSC1=CC2=[N+](C(=CS2)C)CCCCCCC)C.[I-] |
| InChIKey | DQYSALLXMHVJAV-UHFFFAOYSA-M |
The XLogP value of 4.49732 indicates that Quaternium 73 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Quaternium 73. Following Lipinski's Rule of Five, Quaternium 73 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Quaternium 73 is 1619969-13-9.
The molecular formula of Quaternium 73 is C23H39IN2S2.
The molecular weight of Quaternium 73 is 534.1599 g/mol.
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