2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one
TL;DR: 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one (CAS 1351355-66-2) is a chemical compound with molecular formula C18H16O2S and molecular weight 296.0871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]-1-benzothiophen-3-one
Also Known As: BAS 00491186, 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one, 2-(4-Isopropoxy-benzylidene)-benzo[b]thiophen-3-one, (2E)-2-[(4-propan-2-yloxyphenyl)methylidene]-1-benzothiophen-3-one, 2-{[4-(methylethoxy)phenyl]methylene}benzo[b]thiophen-3-one
Technical Specifications
| Molecular Formula | C18H16O2S |
| Molecular Weight | 296.0871 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0871 Da |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
| SMILES | CC(C)OC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3S2 |
| InChIKey | GDUYXCSYMNYEHP-GZTJUZNOSA-N |
Chemical Property Profile of 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one
Property Insights of 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one
The XLogP value of 4.9 indicates that 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one?
The CAS number of 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one is 1351355-66-2.
What is the molecular formula of 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one?
The molecular formula of 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one is C18H16O2S.
What is the molecular weight of 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one?
The molecular weight of 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one is 296.0871 g/mol.
Where can I buy 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one?
You can request a quote for 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-isopropoxybenzylidene)-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.