![3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium structure](/static/products/7571/757151-84-1.webp)
3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium
TL;DR: 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium (CAS 757151-84-1) is a chemical compound with molecular formula C12H13N2O3+ and molecular weight 233.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone
Also Known As: 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium, 1-(3,4-dihydroxyphenyl)-2-(3-methylimidazol-1-yl)ethanone, 1-(3,4-dihydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone, 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium
| Molecular Formula | C12H13N2O3+ |
|---|---|
| Molecular Weight | 233.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.09262 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 757151-84-1 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)CC(=O)C2=CC(=C(C=C2)O)O |
| InChIKey | LJYVIJVMRRUECF-UHFFFAOYSA-O |
Product Overview
3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium (CAS 757151-84-1), with molecular formula C12H13N2O3+ and molecular weight 233.09 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone.
Chemical Property Profile of 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium
Property Insights of 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium. Following Lipinski's Rule of Five, 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium?
The CAS number of 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium is 757151-84-1.
What is the molecular formula of 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium?
The molecular formula of 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium is C12H13N2O3+.
What is the molecular weight of 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium?
The molecular weight of 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium is 233.09 g/mol.
Where can I buy 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium?
You can request a quote for 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.