![2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide structure](/static/products/6944/694469-37-9.webp)
2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
TL;DR: 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide (CAS 694469-37-9) is a chemical compound with molecular formula C23H28N4O2S2 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide, 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
| Molecular Formula | C23H28N4O2S2 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 5.4531 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.16537 |
| Heavy Atoms | 31 |
| Complexity | 1003.066 |
Chemical Identifiers
| CAS Number | 694469-37-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)COC3=CC=C(C=C3)C(C)C |
Product Overview
2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide (CAS 694469-37-9), with molecular formula C23H28N4O2S2 and molecular weight 456.17 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Property Insights of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
The XLogP value of 5.4531 indicates that 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]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-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]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 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
The CAS number of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide is 694469-37-9.
What is the molecular formula of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
The molecular formula of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide is C23H28N4O2S2.
What is the molecular weight of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
The molecular weight of 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide is 456.17 g/mol.
Where can I buy 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
You can request a quote for 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)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-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.