TL;DR: Talviraline (CAS 169312-27-0) is a chemical compound with molecular formula C15H20N2O3S2 and molecular weight 340.09152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl (2S)-7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate
Also Known As: Talviraline, Talviralina, talviralinum, HBY 097, Quinotaline
| Molecular Formula | C15H20N2O3S2 |
| Molecular Weight | 340.09152 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.09152 Da |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
| SMILES | CC(C)OC(=O)N1[C@H](C(=S)NC2=C1C=C(C=C2)OC)CSC |
| InChIKey | GWKIPRVERALPRD-ZDUSSCGKSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Talviraline. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Talviraline. Following Lipinski's Rule of Five, Talviraline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Talviraline is 169312-27-0.
The molecular formula of Talviraline is C15H20N2O3S2.
The molecular weight of Talviraline is 340.09152 g/mol.
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