TL;DR: 4-(2-(6-Methoxy-2-naphthyl)-1-thioxoethyl)morpholine (CAS 53077-21-7) is a chemical compound with molecular formula C17H19NO2S and molecular weight 301.11365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-methoxynaphthalen-2-yl)-1-morpholin-4-ylethanethione
Also Known As: 4-(2-(6-Methoxy-2-naphthyl)-1-thioxoethyl)morpholine, 2-(6-methoxynaphthalen-2-yl)-1-morpholin-4-ylethanethione, 2-(6-Methoxynaphthalen-2-yl)-1-morpholinoethanethione, 4-[2-(6-METHOXY-2-NAPHTHYL)-1-THIOXOETHYL]MORPHOLINE, 2-(6-methoxynaphthalen-2-yl)-1-(morpholin-4-yl)ethane-1-thione
| Molecular Formula | C17H19NO2S |
| Molecular Weight | 301.11365 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.11365 Da |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
| SMILES | COC1=CC2=C(C=C1)C=C(C=C2)CC(=S)N3CCOCC3 |
| InChIKey | ZUOMFDWEUYBZOW-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(6-Methoxy-2-naphthyl)-1-thioxoethyl)morpholine. With a topological polar surface area (TPSA) of 53.8 Ų, 4-(2-(6-Methoxy-2-naphthyl)-1-thioxoethyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-(6-Methoxy-2-naphthyl)-1-thioxoethyl)morpholine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(2-(6-Methoxy-2-naphthyl)-1-thioxoethyl)morpholine is 53077-21-7.
The molecular formula of 4-(2-(6-Methoxy-2-naphthyl)-1-thioxoethyl)morpholine is C17H19NO2S.
The molecular weight of 4-(2-(6-Methoxy-2-naphthyl)-1-thioxoethyl)morpholine is 301.11365 g/mol.
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