Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester
TL;DR: Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester (CAS 109964-28-5) is a chemical compound with molecular formula C18H33BrN2O2 and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-octyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide
Also Known As: 4-Carboxy-1-octyl-1-(2-propynyl)piperazinium bromide ethyl ester, Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester, ethyl 4-octyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide, 4-(Ethoxycarbonyl)-1-octyl-1-(prop-2-yn-1-yl)piperazin-1-ium bromide, RefChem:1096091
| Molecular Formula | C18H33BrN2O2 |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 0.273 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.17255 |
| Heavy Atoms | 23 |
| Complexity | 360.52332 |
Chemical Identifiers
| CAS Number | 109964-28-5 |
|---|---|
| SMILES | CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC#C.[Br-] |
Product Overview
Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester (CAS 109964-28-5), with molecular formula C18H33BrN2O2 and molecular weight 388.17 g/mol. IUPAC: ethyl 4-octyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide.
Chemical Property Profile of Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester
Property Insights of Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester
The XLogP value of 0.273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester 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 Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester?
The CAS number of Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester is 109964-28-5.
What is the molecular formula of Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester?
The molecular formula of Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester is C18H33BrN2O2.
What is the molecular weight of Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester?
The molecular weight of Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester is 388.17 g/mol.
Where can I buy Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester?
You can request a quote for Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.