![N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/849/849005-87-4.png)
N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 849005-87-4) is a chemical compound with molecular formula C29H32N4O3S and molecular weight 516.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methy lpropyl)phenyl]acetamide, N-(4-(sec-butyl)phenyl)-2-((4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C29H32N4O3S |
|---|---|
| Molecular Weight | 516.22 g/mol |
| LogP | 6.5859 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.2195 |
| Heavy Atoms | 37 |
| Complexity | 1302.7485 |
Chemical Identifiers
| CAS Number | 849005-87-4 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)OC |
Product Overview
N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 849005-87-4), with molecular formula C29H32N4O3S and molecular weight 516.22 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 6.5859 indicates that N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-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 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 849005-87-4.
What is the molecular formula of N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C29H32N4O3S.
What is the molecular weight of N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 516.22 g/mol.
Where can I buy N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-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-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.