![2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium structure](/static/products/2028/20284-40-6.webp)
2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium
TL;DR: 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium (CAS 20284-40-6) is a chemical compound with molecular formula C11H18N3O2+ and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium
Also Known As: Murexine, Urocanylcholine, beta-(4-Imidazolyl)acryloylcholine, choline imidazole-4-acrylate (ester), Choline, imidazole-4-acrylate (ester)
| Molecular Formula | C11H18N3O2+ |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.13991 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 20284-40-6 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C=CC1=CN=CN1 |
| InChIKey | XDPGNNXEHPAHCJ-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium (CAS 20284-40-6), with molecular formula C11H18N3O2+ and molecular weight 224.14 g/mol. IUPAC: 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium.
Chemical Property Profile of 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium
Property Insights of 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium. With a topological polar surface area (TPSA) of 55.0 Ų, 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium has 1 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 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium?
The CAS number of 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium is 20284-40-6.
What is the molecular formula of 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium?
The molecular formula of 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium is C11H18N3O2+.
What is the molecular weight of 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium?
The molecular weight of 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium is 224.14 g/mol.
Where can I buy 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium?
You can request a quote for 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.