TL;DR: 1-(5-chlorothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone (CAS 1091713-43-7) is a chemical compound with molecular formula C16H13ClN2O3S2 and molecular weight 380.0056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-chlorothiophen-2-yl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-(5-chlorothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone, 1-(5-chlorothiophen-2-yl)-2-((5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl)thio)ethanone, 1-(5-chlorothiophen-2-yl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C16H13ClN2O3S2 |
| Molecular Weight | 380.0056 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.0056 Da |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
| SMILES | COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=C(S3)Cl |
| InChIKey | HTLCAJIGFSMGBV-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 1-(5-chlorothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-chlorothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone. Following Lipinski's Rule of Five, 1-(5-chlorothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(5-chlorothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone is 1091713-43-7.
The molecular formula of 1-(5-chlorothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone is C16H13ClN2O3S2.
The molecular weight of 1-(5-chlorothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone is 380.0056 g/mol.
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