TL;DR: Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt (CAS 1381807-52-8) is a chemical compound with molecular formula C34H44KN3O9S4 and molecular weight 805.1597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
potassium (2E)-2-[(E)-3-[3,3-dimethyl-1-[6-(2-methylsulfonylsulfanylethylamino)-6-oxohexyl]-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
Also Known As: Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt
| Molecular Formula | C34H44KN3O9S4 |
| Molecular Weight | 805.1597 g/mol |
| XLogP | 1.5022 |
| Topological Polar Surface Area (TPSA) | 234.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 805.1597 Da |
| Heavy Atoms | 51 |
| Complexity | 1660.0 |
| SMILES | CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(/C1=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCCCC(=O)NCCSS(=O)(=O)C)(C)C.[K+] |
| InChIKey | QXQUGLZEDRRKJE-UHFFFAOYSA-M |
The XLogP value of 1.5022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt. The TPSA of 234.0 Ų indicates high polarity, suggesting Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt is 1381807-52-8.
The molecular formula of Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt is C34H44KN3O9S4.
The molecular weight of Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt is 805.1597 g/mol.
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