![2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide structure](/static/products/5779/577997-09-2.webp)
2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CAS 577997-09-2) is a chemical compound with molecular formula C19H17ClF3N5O3S and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide, 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-[4-amino-5-(3,4-dimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[2-chloro-5-(tri fluoromethyl)phenyl]acetamide
| Molecular Formula | C19H17ClF3N5O3S |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 4.0791 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.06927 |
| Heavy Atoms | 32 |
| Complexity | 1139.8815 |
Chemical Identifiers
| CAS Number | 577997-09-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OC |
Product Overview
2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CAS 577997-09-2), with molecular formula C19H17ClF3N5O3S and molecular weight 487.07 g/mol. IUPAC: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
The XLogP value of 4.0791 indicates that 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is 577997-09-2.
What is the molecular formula of 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is C19H17ClF3N5O3S.
What is the molecular weight of 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is 487.07 g/mol.
Where can I buy 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(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-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.