![1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate structure](/static/products/3384/338406-34-1.webp)
1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate
TL;DR: 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate (CAS 338406-34-1) is a chemical compound with molecular formula C21H25ClN4O4 and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate
Also Known As: 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate, diethyl 4-[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate, diethyl 4-{amino[4-(4-chlorophenyl)piperazino]methylene}-2-cyano-2-pentenedioate
| Molecular Formula | C21H25ClN4O4 |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 2.20848 |
| Topological Polar Surface Area | 108.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.15643 |
| Heavy Atoms | 30 |
| Complexity | 865.98773 |
Chemical Identifiers
| CAS Number | 338406-34-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC(=C(N)N1CCN(CC1)C2=CC=C(C=C2)Cl)C(=O)OCC)C#N |
Product Overview
1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate (CAS 338406-34-1), with molecular formula C21H25ClN4O4 and molecular weight 432.16 g/mol. IUPAC: diethyl 4-[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate.
Chemical Property Profile of 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate
Property Insights of 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate
The XLogP value of 2.20848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate. The TPSA of 108.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate. Following Lipinski's Rule of Five, 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-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 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate?
The CAS number of 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate is 338406-34-1.
What is the molecular formula of 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate?
The molecular formula of 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate is C21H25ClN4O4.
What is the molecular weight of 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate?
The molecular weight of 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate is 432.16 g/mol.
Where can I buy 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate?
You can request a quote for 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-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 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-diethyl 4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.