![diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate structure](/static/products/3384/338409-07-7.webp)
diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate
TL;DR: diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate (CAS 338409-07-7) is a chemical compound with molecular formula C21H23ClF3N5O4 and molecular weight 501.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[amino-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate
Also Known As: diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate, diethyl 4-[amino-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate
| Molecular Formula | C21H23ClF3N5O4 |
|---|---|
| Molecular Weight | 501.14 g/mol |
| LogP | 2.62228 |
| Topological Polar Surface Area | 121.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.13907 |
| Heavy Atoms | 34 |
| Complexity | 1028.2157 |
Chemical Identifiers
| CAS Number | 338409-07-7 |
|---|---|
| SMILES | CCOC(=O)C(=CC(=C(N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)OCC)C#N |
Product Overview
diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate (CAS 338409-07-7), with molecular formula C21H23ClF3N5O4 and molecular weight 501.14 g/mol. IUPAC: diethyl 4-[amino-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate.
Chemical Property Profile of diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate
Property Insights of diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate
The XLogP value of 2.62228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate. The TPSA of 121.78 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate. Following Lipinski's Rule of Five, diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate?
The CAS number of diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate is 338409-07-7.
What is the molecular formula of diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate?
The molecular formula of diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate is C21H23ClF3N5O4.
What is the molecular weight of diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate?
The molecular weight of diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate is 501.14 g/mol.
Where can I buy diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate?
You can request a quote for diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}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 diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.