![[1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone structure](/static/products/4778/477858-71-2.webp)
[1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone
TL;DR: [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone (CAS 477858-71-2) is a chemical compound with molecular formula C20H15F6N5O and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(dimethylamino)ethenyl]triazol-4-yl]-pyridin-4-ylmethanone
Also Known As: [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone|[1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(dimethylamino)ethenyl]triazol-4-yl]-pyridin-4-ylmethanone|{1-[3,5-bis(trifluoromethyl)phenyl]-5-[(E)-2-(dimethylamino)ethenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone
| Molecular Formula | C20H15F6N5O |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 4.4632 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.11807 |
| Heavy Atoms | 32 |
| Complexity | 1117.2725 |
Chemical Identifiers
| CAS Number | 477858-71-2 |
|---|---|
| SMILES | CN(C)C=CC1=C(N=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=CC=NC=C3 |
Product Overview
[1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone (CAS 477858-71-2), with molecular formula C20H15F6N5O and molecular weight 455.12 g/mol. IUPAC: [1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(dimethylamino)ethenyl]triazol-4-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone
Property Insights of [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone
The XLogP value of 4.4632 indicates that [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone. Following Lipinski's Rule of Five, [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone has 0 hydrogen bond donor(s) and 5 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-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone?
The CAS number of [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone is 477858-71-2.
What is the molecular formula of [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone?
The molecular formula of [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone is C20H15F6N5O.
What is the molecular weight of [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone?
The molecular weight of [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone is 455.12 g/mol.
Where can I buy [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone?
You can request a quote for [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone?
Yes, KEHONG BIO provides custom synthesis services for [1-[3,5-bis(trifluoromethyl)phenyl]-5-(2-dimethylaminoethenyl)triazol-4-yl]-pyridin-4-yl-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.