![N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide structure](/static/products/6944/694467-08-8.webp)
N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide
TL;DR: N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide (CAS 694467-08-8) is a chemical compound with molecular formula C25H28F3N5O2S and molecular weight 519.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-ethyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-methylbenzamide
Also Known As: N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide, N-[1-[4-ethyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-methylbenzamide
| Molecular Formula | C25H28F3N5O2S |
|---|---|
| Molecular Weight | 519.19 g/mol |
| LogP | 5.48312 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.1916 |
| Heavy Atoms | 36 |
| Complexity | 1226.3989 |
Chemical Identifiers
| CAS Number | 694467-08-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(C(C)C)NC(=O)C3=CC=CC(=C3)C |
Product Overview
N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide (CAS 694467-08-8), with molecular formula C25H28F3N5O2S and molecular weight 519.19 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-methylbenzamide.
Chemical Property Profile of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide
Property Insights of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide
The XLogP value of 5.48312 indicates that N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide. Following Lipinski's Rule of Five, N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide?
The CAS number of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide is 694467-08-8.
What is the molecular formula of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide?
The molecular formula of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide is C25H28F3N5O2S.
What is the molecular weight of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide?
The molecular weight of N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide is 519.19 g/mol.
Where can I buy N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide?
You can request a quote for N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.