![1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate structure](/static/products/3384/338406-36-3.webp)
1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate
TL;DR: 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate (CAS 338406-36-3) is a chemical compound with molecular formula C20H25N5O4 and molecular weight 399.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[amino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate
Also Known As: 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate, Diethyl 4-[amino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]-2-cyano-pent-2-enedioate, diethyl 4-[amino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate, diethyl 4-{amino[4-(2-pyridinyl)piperazino]methylene}-2-cyano-2-pentenedioate, Diethyl 4-{amino[4-(pyridin-2-yl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate
| Molecular Formula | C20H25N5O4 |
|---|---|
| Molecular Weight | 399.19 g/mol |
| LogP | 0.95008 |
| Topological Polar Surface Area | 121.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.19064 |
| Heavy Atoms | 29 |
| Complexity | 821.0234 |
Chemical Identifiers
| CAS Number | 338406-36-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC(=C(N)N1CCN(CC1)C2=CC=CC=N2)C(=O)OCC)C#N |
Product Overview
1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate (CAS 338406-36-3), with molecular formula C20H25N5O4 and molecular weight 399.19 g/mol. IUPAC: diethyl 4-[amino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate.
Chemical Property Profile of 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate
Property Insights of 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate
The XLogP value of 0.95008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate. The TPSA of 121.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate. Following Lipinski's Rule of Five, 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate has 1 hydrogen bond donor(s) and 9 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 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate?
The CAS number of 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate is 338406-36-3.
What is the molecular formula of 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate?
The molecular formula of 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate is C20H25N5O4.
What is the molecular weight of 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate?
The molecular weight of 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate is 399.19 g/mol.
Where can I buy 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate?
You can request a quote for 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diethyl 4-[amino[4-(2-pyridinyl)-1-piperazinyl]methylene]-2-cyano-2-pentenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.