![2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide structure](/static/products/4991/499124-61-7.webp)
2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
TL;DR: 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide (CAS 499124-61-7) is a chemical compound with molecular formula C28H23N5O2S and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Also Known As: 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide, N-(4-phenoxyphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide, 2-[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenoxypheny l)acetamide, 2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(4-PHENOXYPHENYL)ACETAMIDE
| Molecular Formula | C28H23N5O2S |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | 6.16082 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.15726 |
| Heavy Atoms | 36 |
| Complexity | 1437.5851 |
Chemical Identifiers
| CAS Number | 499124-61-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=NC=C5 |
Product Overview
2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide (CAS 499124-61-7), with molecular formula C28H23N5O2S and molecular weight 493.16 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Property Insights of 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
The XLogP value of 6.16082 indicates that 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 6 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-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
The CAS number of 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide is 499124-61-7.
What is the molecular formula of 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
The molecular formula of 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide is C28H23N5O2S.
What is the molecular weight of 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
The molecular weight of 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide is 493.16 g/mol.
Where can I buy 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
You can request a quote for 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.