2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
TL;DR: 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 618441-46-6) 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-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, 2-{[4-(4-TERT-BUTYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-PHENYLACETAMIDE, 2-((4-(4-Tert-butylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-phenylacetamide, 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, 2-[[5-(phenoxymethyl)-4-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
| Molecular Formula | C27H28N4O2S |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 5.8746 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.1933 |
| Heavy Atoms | 34 |
| Complexity | 1217.237 |
Chemical Identifiers
| CAS Number | 618441-46-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4 |
Product Overview
2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 618441-46-6), with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol. IUPAC: 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
Property Insights of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
The XLogP value of 5.8746 indicates that 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide 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-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide 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-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The CAS number of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is 618441-46-6.
What is the molecular formula of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The molecular formula of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is C27H28N4O2S.
What is the molecular weight of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The molecular weight of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is 472.19 g/mol.
Where can I buy 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
You can request a quote for 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide 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-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.