![2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole structure](/static/products/1597/159729-37-0.webp)
2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole
TL;DR: 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole (CAS 159729-37-0) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole
Also Known As: 2-(3',4'-dimethoxystyryl)-benzothiazole, Benzothiazole, 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-, 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole, 2-[2-(3,4-Dimethoxyphenyl)ethen-1-yl]-1,3-benzothiazole
Technical Specifications
| Molecular Formula | C17H15NO2S |
| Molecular Weight | 297.08234 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.08234 Da |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| SMILES | COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3S2)OC |
| InChIKey | CQLOJCHQXFGESP-UHFFFAOYSA-N |
Chemical Property Profile of 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole
Property Insights of 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole
The XLogP value of 4.6 indicates that 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole has 0 hydrogen bond donor(s) and 4 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-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
The CAS number of 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole is 159729-37-0.
What is the molecular formula of 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
The molecular formula of 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole is C17H15NO2S.
What is the molecular weight of 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
The molecular weight of 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole is 297.08234 g/mol.
Where can I buy 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
You can request a quote for 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.