N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 847472-12-2) is a chemical compound with molecular formula C22H15ClF3N5OS and molecular weight 489.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H15ClF3N5OS |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | 5.7323 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.06378 |
| Heavy Atoms | 33 |
| Complexity | 1266.2739 |
Chemical Identifiers
| CAS Number | 847472-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C4=CN=CC=C4 |
Product Overview
N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 847472-12-2), with molecular formula C22H15ClF3N5OS and molecular weight 489.06 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 5.7323 indicates that N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)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-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 847472-12-2.
What is the molecular formula of N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C22H15ClF3N5OS.
What is the molecular weight of N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 489.06 g/mol.
Where can I buy N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.