![2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide structure](/static/products/862/862104-90-3.png)
2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
TL;DR: 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide (CAS 862104-90-3) is a chemical compound with molecular formula C25H30N4O2S and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide, 2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethoxyphenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide, 2-{5-[4-(tert-butyl)phenyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio)}-N-(2-ethoxy phenyl)acetamide, N-(2-ethoxyphenyl)-2-[[4-prop-2-enyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C25H30N4O2S |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 5.5581 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.20895 |
| Heavy Atoms | 32 |
| Complexity | 1068.2911 |
Chemical Identifiers
| CAS Number | 862104-90-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide (CAS 862104-90-3), with molecular formula C25H30N4O2S and molecular weight 450.21 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide.
Chemical Property Profile of 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Property Insights of 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
The XLogP value of 5.5581 indicates that 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 5 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-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide?
The CAS number of 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide is 862104-90-3.
What is the molecular formula of 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide?
The molecular formula of 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide is C25H30N4O2S.
What is the molecular weight of 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide?
The molecular weight of 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide is 450.21 g/mol.
Where can I buy 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide?
You can request a quote for 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)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-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.