4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide
TL;DR: 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide (CAS 108993-56-2) is a chemical compound with molecular formula C11H19BrN2O2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide
Also Known As: 4-Carboxy-1-methyl-1-(2-propynyl)piperazinium bromide ethyl ester, Piperazinium, 4-carboxy-1-methyl-1-(2-propynyl)-, bromide, ethyl ester, 4-(ETHOXYCARBONYL)-1-METHYL-1-(PROP-2-YN-1-YL)PIPERAZIN-1-IUM BROMIDE, ethyl 4-methyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide, RefChem:1070124
| Molecular Formula | C11H19BrN2O2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | -2.4577 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.063 |
| Heavy Atoms | 16 |
| Complexity | 267.64835 |
Chemical Identifiers
| CAS Number | 108993-56-2 |
|---|---|
| SMILES | CCOC(=O)N1CC[N+](CC1)(C)CC#C.[Br-] |
Product Overview
4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide (CAS 108993-56-2), with molecular formula C11H19BrN2O2 and molecular weight 290.06 g/mol. IUPAC: ethyl 4-methyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide.
Chemical Property Profile of 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide
Property Insights of 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide
The XLogP value of -2.4577 indicates that 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide 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-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide 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 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
The CAS number of 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide is 108993-56-2.
What is the molecular formula of 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
The molecular formula of 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide is C11H19BrN2O2.
What is the molecular weight of 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
The molecular weight of 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide is 290.06 g/mol.
Where can I buy 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
You can request a quote for 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethoxycarbonyl)-1-methyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.