![2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide structure](/static/products/7142/714281-87-5.webp)
2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 714281-87-5) is a chemical compound with molecular formula C21H19F3N6O4S and molecular weight 508.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[4-methyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H19F3N6O4S |
|---|---|
| Molecular Weight | 508.11 g/mol |
| LogP | 3.96252 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.11404 |
| Heavy Atoms | 35 |
| Complexity | 1278.186 |
Chemical Identifiers
| CAS Number | 714281-87-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 714281-87-5), with molecular formula C21H19F3N6O4S and molecular weight 508.11 g/mol. IUPAC: 2-[4-methyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
The XLogP value of 3.96252 indicates that 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is 714281-87-5.
What is the molecular formula of 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is C21H19F3N6O4S.
What is the molecular weight of 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is 508.11 g/mol.
Where can I buy 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.