![1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole structure](/static/products/111/111198-27-7.webp)
1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole (CAS 111198-27-7) is a chemical compound with molecular formula C15H13N3 and molecular weight 235.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-2-(4-methylphenyl)ethenyl]benzotriazole
Also Known As: 1-[(E)-4-Methylstyryl]-1H-benzotriazole, 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole, 1-[(E)-2-(p-tolyl)vinyl]benzotriazole, 1-[2-(4-methylphenyl)ethenyl]benzotriazole, 1-[(E)-2-(4-methylphenyl)ethenyl]benzotriazole
Technical Specifications
| Molecular Formula | C15H13N3 |
| Molecular Weight | 235.11095 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.11095 Da |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
| SMILES | CC1=CC=C(C=C1)/C=C/N2C3=CC=CC=C3N=N2 |
| InChIKey | NICIUWAEVFIPSS-ZHACJKMWSA-N |
Chemical Property Profile of 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole
The XLogP value of 3.6 indicates that 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole is 111198-27-7.
What is the molecular formula of 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole is C15H13N3.
What is the molecular weight of 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole is 235.11095 g/mol.
Where can I buy 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-[(E)-2-(4-Methylphenyl)ethenyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.