Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate
TL;DR: Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate (CAS 338396-64-8) is a chemical compound with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazin-1-yl]penta-2,4-dienoate
Also Known As: Bionet1_000617, ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate, ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazin-1-yl]penta-2,4-dienoate
| Molecular Formula | C20H23N5O3 |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 1.52416 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.18008 |
| Heavy Atoms | 28 |
| Complexity | 838.0775 |
Chemical Identifiers
| CAS Number | 338396-64-8 |
|---|---|
| SMILES | CCOC(=O)C(=CC(=C(N)N1CCN(CC1)C2=CC=C(C=C2)OC)C#N)C#N |
Product Overview
Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate (CAS 338396-64-8), with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol. IUPAC: ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazin-1-yl]penta-2,4-dienoate.
Chemical Property Profile of Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate
Property Insights of Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate
The XLogP value of 1.52416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate. Following Lipinski's Rule of Five, Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate 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 Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate?
The CAS number of Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate is 338396-64-8.
What is the molecular formula of Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate?
The molecular formula of Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate is C20H23N5O3.
What is the molecular weight of Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate?
The molecular weight of Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate is 381.18 g/mol.
Where can I buy Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate?
You can request a quote for Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-2,4-dicyano-5-[4-(4-methoxyphenyl)piperazino]-2,4-pentadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.