Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate
TL;DR: Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate (CAS 75348-49-1) is a chemical compound with molecular formula C27H40N4O9 and molecular weight 564.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;(Z)-4-hydroxy-4-oxobut-2-enoate;(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one
Also Known As: Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate, 4-Pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl ketone maleate, azane; (Z)-4-hydroxy-4-oxobut-2-enoate; (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one, RefChem:1088018
| Molecular Formula | C27H40N4O9 |
|---|---|
| Molecular Weight | 564.28 g/mol |
| LogP | -0.9957 |
| Topological Polar Surface Area | 185.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.27954 |
| Heavy Atoms | 40 |
| Complexity | 1044.329 |
Chemical Identifiers
| CAS Number | 75348-49-1 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C/CC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OC)OC.C(=C\C(=O)[O-])\C(=O)O.N |
Product Overview
Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate (CAS 75348-49-1), with molecular formula C27H40N4O9 and molecular weight 564.28 g/mol. IUPAC: azane;(Z)-4-hydroxy-4-oxobut-2-enoate;(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one.
Chemical Property Profile of Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate
Property Insights of Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate
The XLogP value of -0.9957 indicates that Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.18 Ų indicates high polarity, suggesting Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate?
The CAS number of Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate is 75348-49-1.
What is the molecular formula of Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate?
The molecular formula of Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate is C27H40N4O9.
What is the molecular weight of Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate?
The molecular weight of Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate is 564.28 g/mol.
Where can I buy Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate?
You can request a quote for Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.