![N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/7019/701945-72-4.webp)
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 701945-72-4) is a chemical compound with molecular formula C21H18ClF3N4OS and molecular weight 466.08 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-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-((4-allyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(3-methylphenyl)-4-prop-2-enyl(1,2 ,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H18ClF3N4OS |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 5.84252 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.0842 |
| Heavy Atoms | 31 |
| Complexity | 1114.2446 |
Chemical Identifiers
| CAS Number | 701945-72-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 701945-72-4), with molecular formula C21H18ClF3N4OS and molecular weight 466.08 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.84252 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-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. With a topological polar surface area (TPSA) of 59.81 Ų, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 4 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-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 701945-72-4.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C21H18ClF3N4OS.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 466.08 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-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-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-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-(3-methylphenyl)-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.