4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide
TL;DR: 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide (CAS 109698-31-9) is a chemical compound with molecular formula C16H33BrN2O2 and molecular weight 364.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-4-octylpiperazin-4-ium-1-carboxylate bromide
Also Known As: 4-Carboxy-1-methyl-1-octylpiperazinium bromide ethyl ester, Piperazinium, 4-carboxy-1-methyl-1-octyl-, bromide, ethyl ester, 4-(ETHOXYCARBONYL)-1-METHYL-1-OCTYLPIPERAZIN-1-IUM BROMIDE, ethyl 4-methyl-4-octylpiperazin-4-ium-1-carboxylate bromide
Technical Specifications
| Molecular Formula | C16H33BrN2O2 |
| Molecular Weight | 364.17255 g/mol |
| XLogP | 0.2696 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 364.17255 Da |
| Heavy Atoms | 21 |
| Complexity | 274.0 |
| SMILES | CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)C.[Br-] |
| InChIKey | HAVWKANVEFUZKR-UHFFFAOYSA-M |
Chemical Property Profile of 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide
Property Insights of 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide
The XLogP value of 0.2696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-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-methyl-1-octylpiperazin-1-ium bromide?
The CAS number of 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide is 109698-31-9.
What is the molecular formula of 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide?
The molecular formula of 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide is C16H33BrN2O2.
What is the molecular weight of 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide?
The molecular weight of 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide is 364.17255 g/mol.
Where can I buy 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide?
You can request a quote for 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-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-methyl-1-octylpiperazin-1-ium bromide?
Yes, CoreyChem provides custom synthesis services for 4-(Ethoxycarbonyl)-1-methyl-1-octylpiperazin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.