TL;DR: Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)- (CAS 16140-28-6) is a chemical compound with molecular formula C22H26N2O2S and molecular weight 382.1715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(hydroxymethyl)-1-[2-(2-methylpiperidin-1-yl)ethylamino]thioxanthen-9-one
Also Known As: SW 7, 9H-Thioxanthen-9-one der., 5-20-04-00091 (Beilstein Handbook Reference), Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)-, 4-(Hydroxymethyl)-1-((2-(2-methyl-1-piperidinyl)ethyl)amino)-9H-thioxanthen-9-one
| Molecular Formula | C22H26N2O2S |
| Molecular Weight | 382.1715 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1715 Da |
| Heavy Atoms | 27 |
| Complexity | 517.0 |
| SMILES | CC1CCCCN1CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O |
| InChIKey | PVZAIFPRJDURMZ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)-. Following Lipinski's Rule of Five, Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)- has 2 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 Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)- is 16140-28-6.
The molecular formula of Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)- is C22H26N2O2S.
The molecular weight of Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)- is 382.1715 g/mol.
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