TL;DR: Carbocyanine (CAS 15185-48-5) is a chemical compound with molecular formula C25H25IN2 and molecular weight 480.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline iodide
Also Known As: Pinacyanol iodide, Carbocyanine, Pinacyanole, Pinacyanol, Sensitol Red
| Molecular Formula | C25H25IN2 |
| Molecular Weight | 480.10626 g/mol |
| XLogP | 2.6016 |
| Topological Polar Surface Area (TPSA) | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.10626 Da |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
| SMILES | CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-] |
| InChIKey | QWYZFXLSWMXLDM-UHFFFAOYSA-M |
The XLogP value of 2.6016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbocyanine. With a topological polar surface area (TPSA) of 7.1 Ų, Carbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbocyanine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbocyanine is 15185-48-5.
The molecular formula of Carbocyanine is C25H25IN2.
The molecular weight of Carbocyanine is 480.10626 g/mol.
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