4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide
TL;DR: 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide (CAS 100027-33-6) is a chemical compound with molecular formula C21H27IN2O and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-2,2-diphenylethanone iodide
Also Known As: 4-Diphenylacetyl-1-ethyl-1-methylpiperazinium iodide, Piperazinium, 4-diphenylacetyl-1-ethyl-1-methyl-, iodide, 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide, 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-2,2-diphenylethanone iodide, RefChem:1070113
| Molecular Formula | C21H27IN2O |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 0.1312 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.11682 |
| Heavy Atoms | 25 |
| Complexity | 627.3101 |
Chemical Identifiers
| CAS Number | 100027-33-6 |
|---|---|
| SMILES | CC[N+]1(CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-] |
Product Overview
4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide (CAS 100027-33-6), with molecular formula C21H27IN2O and molecular weight 450.12 g/mol. IUPAC: 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-2,2-diphenylethanone iodide.
Chemical Property Profile of 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide
Property Insights of 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide
The XLogP value of 0.1312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide. With a topological polar surface area (TPSA) of 20.31 Ų, 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide has 0 hydrogen bond donor(s) and 1 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 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide?
The CAS number of 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide is 100027-33-6.
What is the molecular formula of 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide?
The molecular formula of 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide is C21H27IN2O.
What is the molecular weight of 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide?
The molecular weight of 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide is 450.12 g/mol.
Where can I buy 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide?
You can request a quote for 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diphenylacetyl)-1-ethyl-1-methylpiperazin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.