Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide
TL;DR: Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide (CAS 37073-49-7) is a chemical compound with molecular formula C18H36INO2 and molecular weight 425.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methylhexanoate iodide
Also Known As: 1-(2-Ethyl-2-methylhexanoyloxypropyl)-1-methylpiperidinium iodide, Hexanoic acid, 2-ethyl-2-methyl-, 3-piperidinopropyl ester, methiodide, Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide, 1-{3-[(2-ethyl-2-methylhexanoyl)oxy]propyl}-1-methylpiperidinium iodide, Hexanoic acid,2-ethyl-2-methyl-,3-piperidinopropyl ester,methiodide
| Molecular Formula | C18H36INO2 |
|---|---|
| Molecular Weight | 425.18 g/mol |
| LogP | 1.1607 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 425.17908 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 37073-49-7 |
|---|---|
| SMILES | CCCCC(C)(CC)C(=O)OCCC[N+]1(CCCCC1)C.[I-] |
| InChIKey | UEKIWXUMBRPSPJ-UHFFFAOYSA-M |
Product Overview
Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide (CAS 37073-49-7), with molecular formula C18H36INO2 and molecular weight 425.18 g/mol. IUPAC: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methylhexanoate iodide.
Chemical Property Profile of Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide
Property Insights of Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide
The XLogP value of 1.1607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide. With a topological polar surface area (TPSA) of 26.3 Ų, Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide 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
Frequently Asked Questions
What is the CAS number of Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide?
The CAS number of Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide is 37073-49-7.
What is the molecular formula of Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide?
The molecular formula of Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide is C18H36INO2.
What is the molecular weight of Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide?
The molecular weight of Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide is 425.18 g/mol.
Where can I buy Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide?
You can request a quote for Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.