N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 849002-58-0) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.713 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 943.8788 |
Chemical Identifiers
| CAS Number | 849002-58-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 |
Product Overview
N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 849002-58-0), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 3.713 indicates that N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 849002-58-0.
What is the molecular formula of N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is C20H22N4O3S.
What is the molecular weight of N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 398.14 g/mol.
Where can I buy N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenyl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.