![2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium structure](/static/products/1030/1030622-15-1.webp)
2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium
TL;DR: 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium (CAS 1030622-15-1) is a chemical compound with molecular formula C20H20N3O4+ and molecular weight 366.1454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone
Also Known As: 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium, 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone, 2-Amino-4-(1,3-benzodioxol-5-yl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-1H-imidazolium, 2-Amino-4-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-1H-imidazol-3-ium
Technical Specifications
| Molecular Formula | C20H20N3O4+ |
| Molecular Weight | 366.1454 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.1454 Da |
| Heavy Atoms | 27 |
| Complexity | 525.0 |
| SMILES | CN1C(=C[N+](=C1N)CC(=O)C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4 |
| InChIKey | LPYWDWJJHOABQF-UHFFFAOYSA-O |
Chemical Property Profile of 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium
Property Insights of 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium. Following Lipinski's Rule of Five, 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium has 1 hydrogen bond donor(s) and 5 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-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium?
The CAS number of 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium is 1030622-15-1.
What is the molecular formula of 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium?
The molecular formula of 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium is C20H20N3O4+.
What is the molecular weight of 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium?
The molecular weight of 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium is 366.1454 g/mol.
Where can I buy 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium?
You can request a quote for 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium?
Yes, CoreyChem provides custom synthesis services for 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.