Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester
TL;DR: Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester (CAS 109699-57-2) is a chemical compound with molecular formula C15H27BrN2O2 and molecular weight 346.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hept-2-ynyl-4-methylpiperazin-4-ium-1-carboxylate bromide
Also Known As: Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester, 4-Carboxy-1-(2-heptynyl)-1-methylpiperazinium bromide ethyl ester, ethyl 4-hept-2-ynyl-4-methylpiperazin-4-ium-1-carboxylate bromide, ethyl 4-hept-2-ynyl-4-methylpiperazin-4-ium-1-carboxylate;bromide, ethyl 4-hept-2-ynyl-4-methylpiperazin-4-ium-1-carboxylate,bromide
Technical Specifications
| Molecular Formula | C15H27BrN2O2 |
| Molecular Weight | 346.12558 g/mol |
| XLogP | -0.8973 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.12558 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | CCCCC#CC[N+]1(CCN(CC1)C(=O)OCC)C.[Br-] |
| InChIKey | JFSUSZVGXIKYPE-UHFFFAOYSA-M |
Chemical Property Profile of Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester
Property Insights of Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester
The XLogP value of -0.8973 indicates that Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, 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
What is the CAS number of Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester?
The CAS number of Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester is 109699-57-2.
What is the molecular formula of Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester?
The molecular formula of Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester is C15H27BrN2O2.
What is the molecular weight of Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester?
The molecular weight of Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester is 346.12558 g/mol.
Where can I buy Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester?
You can request a quote for Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.