![Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate structure](/static/products/3383/338396-62-6.webp)
Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate
TL;DR: Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate (CAS 338396-62-6) is a chemical compound with molecular formula C21H26N4O4 and molecular weight 398.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate
Also Known As: diethyl 4-[amino(4-phenylpiperazino)methylene]-2-cyano-2-pentenedioate, diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate
| Molecular Formula | C21H26N4O4 |
|---|---|
| Molecular Weight | 398.20 g/mol |
| LogP | 1.55508 |
| Topological Polar Surface Area | 108.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1954 |
| Heavy Atoms | 29 |
| Complexity | 818.8329 |
Chemical Identifiers
| CAS Number | 338396-62-6 |
|---|---|
| SMILES | CCOC(=O)C(=CC(=C(N)N1CCN(CC1)C2=CC=CC=C2)C(=O)OCC)C#N |
Product Overview
Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate (CAS 338396-62-6), with molecular formula C21H26N4O4 and molecular weight 398.20 g/mol. IUPAC: diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate.
Chemical Property Profile of Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate
Property Insights of Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate
The XLogP value of 1.55508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate. The TPSA of 108.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate. Following Lipinski's Rule of Five, Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate has 1 hydrogen bond donor(s) and 8 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 Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate?
The CAS number of Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate is 338396-62-6.
What is the molecular formula of Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate?
The molecular formula of Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate is C21H26N4O4.
What is the molecular weight of Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate?
The molecular weight of Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate is 398.20 g/mol.
Where can I buy Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate?
You can request a quote for Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.