![2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide structure](/static/products/899/899386-03-9.png)
2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
TL;DR: 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide (CAS 899386-03-9) is a chemical compound with molecular formula C27H28N4O3S and molecular weight 488.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Also Known As: 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide, 2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide, 2-[4-(4-methoxyphenyl)-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]-N-[2-(methyl ethyl)phenyl]acetamide, N-(2-isopropylphenyl)-2-((4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C27H28N4O3S |
|---|---|
| Molecular Weight | 488.19 g/mol |
| LogP | 5.7091 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.1882 |
| Heavy Atoms | 35 |
| Complexity | 1257.1787 |
Chemical Identifiers
| CAS Number | 899386-03-9 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=CC=C4 |
Product Overview
2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide (CAS 899386-03-9), with molecular formula C27H28N4O3S and molecular weight 488.19 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide.
Chemical Property Profile of 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Property Insights of 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
The XLogP value of 5.7091 indicates that 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]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 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)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-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide?
The CAS number of 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide is 899386-03-9.
What is the molecular formula of 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide?
The molecular formula of 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide is C27H28N4O3S.
What is the molecular weight of 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide?
The molecular weight of 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide is 488.19 g/mol.
Where can I buy 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide?
You can request a quote for 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)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-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.