TL;DR: AP-853/41543787 (CAS 667901-16-8) is a chemical compound with molecular formula C19H15N3O4S and molecular weight 381.07834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-7-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]chromen-2-one
Also Known As: AP-853/41543787, 4-methyl-7-(2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethoxy)-2H-chromen-2-one, 4-methyl-7-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]chromen-2-one, 4-methyl-7-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethoxy)-2H-chromen-2-one, 4-methyl-7-{2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy}-2H-chromen-2-one
| Molecular Formula | C19H15N3O4S |
| Molecular Weight | 381.07834 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.07834 Da |
| Heavy Atoms | 27 |
| Complexity | 555.0 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OCCSC3=NN=C(O3)C4=CC=NC=C4 |
| InChIKey | NHXGYKMAUGPWKU-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-853/41543787. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/41543787. Following Lipinski's Rule of Five, AP-853/41543787 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AP-853/41543787 is 667901-16-8.
The molecular formula of AP-853/41543787 is C19H15N3O4S.
The molecular weight of AP-853/41543787 is 381.07834 g/mol.
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