TL;DR: N-(2-Hydroxy-5-(4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl)phenyl)acetamide (CAS 119-96-0) is a chemical compound with molecular formula C11H14AsNO3S2 and molecular weight 346.9631 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide
Also Known As: ARSTHINOL, Arsthinenol, mercaptoarsenol, Arstinol, Arsthinolum
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H14AsNO3S2 |
| Molecular Weight | 346.9631 g/mol |
| XLogP | 0.89 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.9631 Da |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
| SMILES | CC(=O)NC1=C(C=CC(=C1)[As]2SCC(S2)CO)O |
| InChIKey | MRUDSZSRLQAPOG-UHFFFAOYSA-N |
The XLogP value of 0.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Hydroxy-5-(4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl)phenyl)acetamide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Hydroxy-5-(4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl)phenyl)acetamide. Following Lipinski's Rule of Five, N-(2-Hydroxy-5-(4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl)phenyl)acetamide has 3 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 N-(2-Hydroxy-5-(4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl)phenyl)acetamide is 119-96-0.
The molecular formula of N-(2-Hydroxy-5-(4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl)phenyl)acetamide is C11H14AsNO3S2.
The molecular weight of N-(2-Hydroxy-5-(4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl)phenyl)acetamide is 346.9631 g/mol.
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