![2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide structure](/static/products/5398/539808-79-2.webp)
2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide
TL;DR: 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide (CAS 539808-79-2) is a chemical compound with molecular formula C28H28Cl2N4O2S and molecular weight 554.13 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-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)acetamide
Also Known As: 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide, 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide, 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dichlorophenyl)acetamide, 2-((5-((4-TERT-BUTYLPHENOXY)METHYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2,6-DICHLOROPHENYL)ACETAMIDE, 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)acetamide
| Molecular Formula | C28H28Cl2N4O2S |
|---|---|
| Molecular Weight | 554.13 g/mol |
| LogP | 7.48982 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.131 |
| Heavy Atoms | 37 |
| Complexity | 1378.0602 |
Chemical Identifiers
| CAS Number | 539808-79-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=CC=C3Cl)Cl)COC4=CC=C(C=C4)C(C)(C)C |
Product Overview
2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide (CAS 539808-79-2), with molecular formula C28H28Cl2N4O2S and molecular weight 554.13 g/mol. IUPAC: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)acetamide.
Chemical Property Profile of 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide
Property Insights of 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide
The XLogP value of 7.48982 indicates that 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)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-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)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-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide?
The CAS number of 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide is 539808-79-2.
What is the molecular formula of 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide?
The molecular formula of 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide is C28H28Cl2N4O2S.
What is the molecular weight of 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide?
The molecular weight of 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide is 554.13 g/mol.
Where can I buy 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide?
You can request a quote for 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)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-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.