![2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide structure](/static/products/7067/706772-52-3.webp)
2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
TL;DR: 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide (CAS 706772-52-3) is a chemical compound with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide, 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide, 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide, 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide
| Molecular Formula | C27H28N4O2S |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 4.91414 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.1933 |
| Heavy Atoms | 34 |
| Complexity | 1205.8809 |
Chemical Identifiers
| CAS Number | 706772-52-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4 |
Product Overview
2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide (CAS 706772-52-3), with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol. IUPAC: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Property Insights of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
The XLogP value of 4.91414 indicates that 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)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-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide. Following Lipinski's Rule of Five, 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The CAS number of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide is 706772-52-3.
What is the molecular formula of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The molecular formula of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide is C27H28N4O2S.
What is the molecular weight of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The molecular weight of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide is 472.19 g/mol.
Where can I buy 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
You can request a quote for 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)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-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.