![N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/861/861111-40-2.png)
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861111-40-2) is a chemical compound with molecular formula C21H18ClF3N4O2S and molecular weight 482.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-2-(trifluoromethyl)phenyl)acetamide, N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(phenoxymethyl)-4-prop-2-enyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H18ClF3N4O2S |
|---|---|
| Molecular Weight | 482.08 g/mol |
| LogP | 5.4461 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.0791 |
| Heavy Atoms | 32 |
| Complexity | 1090.3939 |
Chemical Identifiers
| CAS Number | 861111-40-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)COC3=CC=CC=C3 |
Product Overview
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861111-40-2), with molecular formula C21H18ClF3N4O2S and molecular weight 482.08 g/mol. IUPAC: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.4461 indicates that N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-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-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-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-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 861111-40-2.
What is the molecular formula of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C21H18ClF3N4O2S.
What is the molecular weight of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 482.08 g/mol.
Where can I buy N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-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-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.