![2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide structure](/static/products/861/861122-13-6.png)
2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
TL;DR: 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide (CAS 861122-13-6) is a chemical compound with molecular formula C28H24N4O3S and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Also Known As: 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide, 2-((4-(furan-2-ylmethyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide, 2-[[4-(2-furylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide, 2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide, 2-[4-(2-furylmethyl)-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenoxyp henyl)acetamide
| Molecular Formula | C28H24N4O3S |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 6.41792 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.15692 |
| Heavy Atoms | 36 |
| Complexity | 1414.4658 |
Chemical Identifiers
| CAS Number | 861122-13-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5 |
Product Overview
2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide (CAS 861122-13-6), with molecular formula C28H24N4O3S and molecular weight 496.16 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Property Insights of 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
The XLogP value of 6.41792 indicates that 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-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 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-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-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
The CAS number of 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide is 861122-13-6.
What is the molecular formula of 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
The molecular formula of 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide is C28H24N4O3S.
What is the molecular weight of 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
The molecular weight of 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide is 496.16 g/mol.
Where can I buy 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
You can request a quote for 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-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-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-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.