4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide
TL;DR: 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide (CAS 109820-88-4) is a chemical compound with molecular formula C17H27BrN2O2 and molecular weight 370.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hept-2-ynyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide
Also Known As: 4-Carboxy-1-(2-heptynyl)-1-(2-propynyl)piperazinium bromide ethyl ester, Piperazinium, 4-carboxy-1-(2-heptynyl)-1-(2-propynyl)-, bromide, ethyl ester, ethyl 4-hept-2-ynyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate;bromide, 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide, ETHYL 4-HEPT-2-YNYL-4-PROP-2-YNYL-2,3,5,6-TETRAHYDROPYRAZINE-1-CARBOXY LATE BROMIDE
Technical Specifications
| Molecular Formula | C17H27BrN2O2 |
| Molecular Weight | 370.12558 g/mol |
| XLogP | -0.8939 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.12558 Da |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
| SMILES | CCCCC#CC[N+]1(CCN(CC1)C(=O)OCC)CC#C.[Br-] |
| InChIKey | ONKYGDDZJGUKPE-UHFFFAOYSA-M |
Chemical Property Profile of 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide
Property Insights of 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide
The XLogP value of -0.8939 indicates that 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-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 29.5 Ų, 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-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-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide 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
What is the CAS number of 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
The CAS number of 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide is 109820-88-4.
What is the molecular formula of 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
The molecular formula of 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide is C17H27BrN2O2.
What is the molecular weight of 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
The molecular weight of 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide is 370.12558 g/mol.
Where can I buy 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
You can request a quote for 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide?
Yes, CoreyChem provides custom synthesis services for 4-(Ethoxycarbonyl)-1-(hept-2-yn-1-yl)-1-(prop-2-yn-1-yl)piperazin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.