2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide
TL;DR: 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide (CAS 539808-75-8) is a chemical compound with molecular formula C30H34N4O2S and molecular weight 514.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide, 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-mesitylacetamide, 2-((5-((4-TERT-BUTYLPHENOXY)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-MESITYLACETAMIDE, 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide, 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C30H34N4O2S |
|---|---|
| Molecular Weight | 514.24 g/mol |
| LogP | 6.79986 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.24023 |
| Heavy Atoms | 37 |
| Complexity | 1350.2095 |
Chemical Identifiers
| CAS Number | 539808-75-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide (CAS 539808-75-8), with molecular formula C30H34N4O2S and molecular weight 514.24 g/mol. IUPAC: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide
Property Insights of 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide
The XLogP value of 6.79986 indicates that 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide 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-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide. Following Lipinski's Rule of Five, 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide 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-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
The CAS number of 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide is 539808-75-8.
What is the molecular formula of 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
The molecular formula of 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide is C30H34N4O2S.
What is the molecular weight of 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
The molecular weight of 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide is 514.24 g/mol.
Where can I buy 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
You can request a quote for 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.