TL;DR: Way 120744 (CAS 127810-07-5) is a chemical compound with molecular formula C12H9ClN2O2S and molecular weight 280.00732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-chloronaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
Also Known As: Way 120744, Way-120,744, 4-((5-Chloronaphthalen-2-yl)methyl)-3H-1,2,3,5-oxathiadiazole 2-oxide, 4-[(5-chloronaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide, 3H-1,2,3,5-Oxathiadiazole, 4-((5-chloro-2-naphthalenyl)methyl)-, 2-oxide
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H9ClN2O2S |
| Molecular Weight | 280.00732 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.00732 Da |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| SMILES | C1=CC2=C(C=CC(=C2)CC3=NS(=O)ON3)C(=C1)Cl |
| InChIKey | AFSHNJLKCYAWRX-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Way 120744. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Way 120744. Following Lipinski's Rule of Five, Way 120744 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Way 120744 is 127810-07-5.
The molecular formula of Way 120744 is C12H9ClN2O2S.
The molecular weight of Way 120744 is 280.00732 g/mol.
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