(E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate
TL;DR: (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate (CAS 1164115-75-6) is a chemical compound with molecular formula C28H33N3O4 and molecular weight 475.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate
Also Known As: (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate, butyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate, butyl 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate, butyl 4-{2,5-dioxo-3-[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]-1-pyrrolidinyl}benzoate
| Molecular Formula | C28H33N3O4 |
|---|---|
| Molecular Weight | 475.25 g/mol |
| LogP | 3.6064 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.2471 |
| Heavy Atoms | 35 |
| Complexity | 1043.6318 |
Chemical Identifiers
| CAS Number | 1164115-75-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 |
Product Overview
(E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate (CAS 1164115-75-6), with molecular formula C28H33N3O4 and molecular weight 475.25 g/mol. IUPAC: butyl 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate.
Chemical Property Profile of (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate
Property Insights of (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate
The XLogP value of 3.6064 indicates that (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate. Following Lipinski's Rule of Five, (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate has 0 hydrogen bond donor(s) and 6 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 (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
The CAS number of (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate is 1164115-75-6.
What is the molecular formula of (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
The molecular formula of (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate is C28H33N3O4.
What is the molecular weight of (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
The molecular weight of (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate is 475.25 g/mol.
Where can I buy (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
You can request a quote for (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-butyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.