![N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide structure](/static/products/6927/692776-08-2.webp)
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 692776-08-2) is a chemical compound with molecular formula C22H22ClF3N4O2S and molecular weight 498.11 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-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H22ClF3N4O2S |
|---|---|
| Molecular Weight | 498.11 g/mol |
| LogP | 5.9205 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.1104 |
| Heavy Atoms | 33 |
| Complexity | 1117.819 |
Chemical Identifiers
| CAS Number | 692776-08-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 692776-08-2), with molecular formula C22H22ClF3N4O2S and molecular weight 498.11 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
The XLogP value of 5.9205 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-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 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-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-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is 692776-08-2.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is C22H22ClF3N4O2S.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is 498.11 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-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-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.