2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide
TL;DR: 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide (CAS 618441-48-8) is a chemical compound with molecular formula C28H30N4O2S and molecular weight 486.21 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-(3-methylphenyl)acetamide
Also Known As: 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide, 2-{[4-(4-TERT-BUTYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3-METHYLPHENYL)ACETAMIDE, 2-((4-(4-TERT-BUTYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE, 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide, 644-776-4
| Molecular Formula | C28H30N4O2S |
|---|---|
| Molecular Weight | 486.21 g/mol |
| LogP | 6.18302 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.20895 |
| Heavy Atoms | 35 |
| Complexity | 1278.5676 |
Chemical Identifiers
| CAS Number | 618441-48-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C(C)(C)C)COC4=CC=CC=C4 |
Product Overview
2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide (CAS 618441-48-8), with molecular formula C28H30N4O2S and molecular weight 486.21 g/mol. IUPAC: 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide
Property Insights of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide
The XLogP value of 6.18302 indicates that 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)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-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide 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-(m-tolyl)acetamide?
The CAS number of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide is 618441-48-8.
What is the molecular formula of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
The molecular formula of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide is C28H30N4O2S.
What is the molecular weight of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
The molecular weight of 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide is 486.21 g/mol.
Where can I buy 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
You can request a quote for 2-((4-(4-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)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-(tert-Butyl)phenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
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-(m-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.