TL;DR: 1-(3,4-dimethoxyphenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CAS 380333-69-7) is a chemical compound with molecular formula C23H26N2O5S and molecular weight 442.15625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dimethoxyphenyl)-2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-(3,4-dimethoxyphenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone, 1-(3,4-DIMETHOXYPHENYL)-2-({5-[(2-ISOPROPYL-5-METHYLPHENOXY)METHYL]-1,3,4-OXADIAZOL-2-YL}SULFANYL)-1-ETHANONE, 1-(3,4-dimethoxyphenyl)-2-(5-{[5-methyl-2-(methylethyl)phenoxy]methyl}(1,3,4-o xadiazol-2-ylthio))ethan-1-one, 1-(3,4-dimethoxyphenyl)-2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C23H26N2O5S |
| Molecular Weight | 442.15625 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 442.15625 Da |
| Heavy Atoms | 31 |
| Complexity | 566.0 |
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(O2)SCC(=O)C3=CC(=C(C=C3)OC)OC |
| InChIKey | BFGBKMDOIWIJKQ-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 1-(3,4-dimethoxyphenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethoxyphenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone 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 1-(3,4-dimethoxyphenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is 380333-69-7.
The molecular formula of 1-(3,4-dimethoxyphenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is C23H26N2O5S.
The molecular weight of 1-(3,4-dimethoxyphenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is 442.15625 g/mol.
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