![N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/5128/512822-89-8.webp)
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 512822-89-8) is a chemical compound with molecular formula C22H18ClF3N6OS and molecular weight 506.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(1,5-dimethylpyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(1,5-dimethylpyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H18ClF3N6OS |
|---|---|
| Molecular Weight | 506.09 g/mol |
| LogP | 5.37922 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.09033 |
| Heavy Atoms | 34 |
| Complexity | 1316.9111 |
Chemical Identifiers
| CAS Number | 512822-89-8 |
|---|---|
| SMILES | CC1=CC(=NN1C)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 512822-89-8), with molecular formula C22H18ClF3N6OS and molecular weight 506.09 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(1,5-dimethylpyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.37922 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 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-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 512822-89-8.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C22H18ClF3N6OS.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 506.09 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.