![2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide structure](/static/products/5754/575460-17-2.webp)
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CAS 575460-17-2) is a chemical compound with molecular formula C20H19ClF3N5O4S and molecular weight 517.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, 2-((4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide, 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-( trifluoromethyl)phenyl]acetamide, 2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C20H19ClF3N5O4S |
|---|---|
| Molecular Weight | 517.08 g/mol |
| LogP | 4.0877 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.07983 |
| Heavy Atoms | 34 |
| Complexity | 1180.4326 |
Chemical Identifiers
| CAS Number | 575460-17-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CAS 575460-17-2), with molecular formula C20H19ClF3N5O4S and molecular weight 517.08 g/mol. IUPAC: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
The XLogP value of 4.0877 indicates that 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is 575460-17-2.
What is the molecular formula of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is C20H19ClF3N5O4S.
What is the molecular weight of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is 517.08 g/mol.
Where can I buy 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.