![2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide structure](/static/products/488/488121-56-8.png)
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
TL;DR: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide (CAS 488121-56-8) is a chemical compound with molecular formula C28H30N6O2S and molecular weight 514.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
Also Known As: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide, 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide, 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(pyridin-4-yl)ethylidene]acetohydrazide, N-((1E)-2-(4-pyridyl)-1-azaprop-1-enyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-metho xyphenyl)(1,2,4-triazol-3-ylthio)}acetamide
| Molecular Formula | C28H30N6O2S |
|---|---|
| Molecular Weight | 514.22 g/mol |
| LogP | 5.2679 |
| Topological Polar Surface Area | 94.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.2151 |
| Heavy Atoms | 37 |
| Complexity | 1375.202 |
Chemical Identifiers
| CAS Number | 488121-56-8 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C)/C4=CC=NC=C4 |
Product Overview
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide (CAS 488121-56-8), with molecular formula C28H30N6O2S and molecular weight 514.22 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide.
Chemical Property Profile of 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
Property Insights of 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
The XLogP value of 5.2679 indicates that 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide. Following Lipinski's Rule of Five, 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The CAS number of 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is 488121-56-8.
What is the molecular formula of 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The molecular formula of 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is C28H30N6O2S.
What is the molecular weight of 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The molecular weight of 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is 514.22 g/mol.
Where can I buy 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
You can request a quote for 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.