4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester
TL;DR: 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester (CAS 109101-49-7) is a chemical compound with molecular formula C14H29IN2O2 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-3-methylbutanoate iodide
Also Known As: 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester, Piperazinium, 4-(1-carboxy-2-methylpropyl)-1-ethyl-1-methyl-, iodide, ethyl ester, ethyl 2-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-3-methylbutanoate iodide, 4-(1-Ethoxy-3-methyl-1-oxobutan-2-yl)-1-ethyl-1-methylpiperazin-1-ium iodide, RefChem:1096080
| Molecular Formula | C14H29IN2O2 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | -1.6398 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.12738 |
| Heavy Atoms | 19 |
| Complexity | 276.61954 |
Chemical Identifiers
| CAS Number | 109101-49-7 |
|---|---|
| SMILES | CC[N+]1(CCN(CC1)C(C(C)C)C(=O)OCC)C.[I-] |
Product Overview
4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester (CAS 109101-49-7), with molecular formula C14H29IN2O2 and molecular weight 384.13 g/mol. IUPAC: ethyl 2-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-3-methylbutanoate iodide.
Chemical Property Profile of 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester
Property Insights of 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester
The XLogP value of -1.6398 indicates that 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.54 Ų, 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester has 0 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 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester?
The CAS number of 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester is 109101-49-7.
What is the molecular formula of 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester?
The molecular formula of 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester is C14H29IN2O2.
What is the molecular weight of 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester?
The molecular weight of 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester is 384.13 g/mol.
Where can I buy 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester?
You can request a quote for 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Carboxy-2-methylpropyl)-1-ethyl-1-methylpiperazinium iodide ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.