N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861111-41-3) is a chemical compound with molecular formula C23H18ClF3N4O2S and molecular weight 506.08 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-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H18ClF3N4O2S |
|---|---|
| Molecular Weight | 506.08 g/mol |
| LogP | 6.29782 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.0791 |
| Heavy Atoms | 34 |
| Complexity | 1288.795 |
Chemical Identifiers
| CAS Number | 861111-41-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861111-41-3), with molecular formula C23H18ClF3N4O2S and molecular weight 506.08 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 6.29782 indicates that N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-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 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-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-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 861111-41-3.
What is the molecular formula of N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C23H18ClF3N4O2S.
What is the molecular weight of N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 506.08 g/mol.
Where can I buy N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-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-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.