![N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/6132/613227-14-8.webp)
N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 613227-14-8) is a chemical compound with molecular formula C26H26N6O4S and molecular weight 518.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(5-acetamido-2-methoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-acetamido-2-methoxyphenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-[4-(4-ethoxyphenyl)-5-(3-pyridyl)(1,2,4- triazol-3-ylthio)]acetamide
| Molecular Formula | C26H26N6O4S |
|---|---|
| Molecular Weight | 518.17 g/mol |
| LogP | 4.4258 |
| Topological Polar Surface Area | 120.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 518.17365 |
| Heavy Atoms | 37 |
| Complexity | 1375.8447 |
Chemical Identifiers
| CAS Number | 613227-14-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC)C4=CN=CC=C4 |
Product Overview
N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 613227-14-8), with molecular formula C26H26N6O4S and molecular weight 518.17 g/mol. IUPAC: N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.4258 indicates that N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 613227-14-8.
What is the molecular formula of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C26H26N6O4S.
What is the molecular weight of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 518.17 g/mol.
Where can I buy N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-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-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.