N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium
TL;DR: N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium (CAS 20284-79-1) is a chemical compound with molecular formula C10H20NO2+ and molecular weight 186.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(3-methylbut-2-enoyloxy)ethyl]azanium
Also Known As: Senecioylcholine, Tigloylcholine, beta,beta-Dimethacryloylcholine, (3-Methyl-2-butenoyl)choline, trimethyl-[2-(3-methylbut-2-enoyloxy)ethyl]azanium
| Molecular Formula | C10H20NO2+ |
|---|---|
| Molecular Weight | 186.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.1494 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 20284-79-1 |
|---|---|
| SMILES | CC(=CC(=O)OCC[N+](C)(C)C)C |
| InChIKey | VPXGYWMXCNLDKD-UHFFFAOYSA-N |
Product Overview
N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium (CAS 20284-79-1), with molecular formula C10H20NO2+ and molecular weight 186.15 g/mol. IUPAC: trimethyl-[2-(3-methylbut-2-enoyloxy)ethyl]azanium.
Chemical Property Profile of N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium
Property Insights of N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium. With a topological polar surface area (TPSA) of 26.3 Ų, N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium 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
Frequently Asked Questions
What is the CAS number of N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium?
The CAS number of N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium is 20284-79-1.
What is the molecular formula of N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium?
The molecular formula of N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium is C10H20NO2+.
What is the molecular weight of N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium?
The molecular weight of N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium is 186.15 g/mol.
Where can I buy N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium?
You can request a quote for N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethyl-2-((3-methyl-1-oxo-2-buten-1-yl)oxy)ethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.