![2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide structure](/static/products/5870/587013-27-2.webp)
2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
TL;DR: 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide (CAS 587013-27-2) is a chemical compound with molecular formula C20H24N6O2S and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
Also Known As: 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide, 2-((4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide, 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide, 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(dimethylamino)phe nyl]acetamide
| Molecular Formula | C20H24N6O2S |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 2.8544 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.16815 |
| Heavy Atoms | 29 |
| Complexity | 954.1077 |
Chemical Identifiers
| CAS Number | 587013-27-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N(C)C |
Product Overview
2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide (CAS 587013-27-2), with molecular formula C20H24N6O2S and molecular weight 412.17 g/mol. IUPAC: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide.
Chemical Property Profile of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Property Insights of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
The XLogP value of 2.8544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)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-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
The CAS number of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide is 587013-27-2.
What is the molecular formula of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
The molecular formula of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide is C20H24N6O2S.
What is the molecular weight of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
The molecular weight of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide is 412.17 g/mol.
Where can I buy 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
You can request a quote for 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)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-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.