![2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione structure](/static/products/1022/1022052-14-7.webp)
2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione
TL;DR: 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione (CAS 1022052-14-7) is a chemical compound with molecular formula C17H18F3N3O4 and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]-1,3-dioxane-4,6-dione
Also Known As: 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-({4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methylidene]-1,3-dioxane-4,6-dione, 2,2-DIMETHYL-5-((4-(5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)METHYLENE)-1,3-DIOXANE-4,6-DIONE, 2,2-Dimethyl-5-({4-5-(trifluoromethyl)-2-pyridinylpiperazino}methylene)-1,3-dioxane-4,6-dione
| Molecular Formula | C17H18F3N3O4 |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 1.9424 |
| Topological Polar Surface Area | 71.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.12494 |
| Heavy Atoms | 27 |
| Complexity | 744.6235 |
Chemical Identifiers
| CAS Number | 1022052-14-7 |
|---|---|
| SMILES | CC1(OC(=O)C(=CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)O1)C |
Product Overview
2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione (CAS 1022052-14-7), with molecular formula C17H18F3N3O4 and molecular weight 385.12 g/mol. IUPAC: 2,2-dimethyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione
Property Insights of 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione
The XLogP value of 1.9424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione. The TPSA of 71.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 7 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 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione?
The CAS number of 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione is 1022052-14-7.
What is the molecular formula of 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione is C17H18F3N3O4.
What is the molecular weight of 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione is 385.12 g/mol.
Where can I buy 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-5-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.