![2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide structure](/static/products/5398/539808-95-2.webp)
2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide
TL;DR: 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide (CAS 539808-95-2) 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-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Also Known As: 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide, 2-((4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide, 2-((4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-ISOPROPYL-N-PHENYLACETAMIDE, 2-[[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide, 644-743-4
| Molecular Formula | C28H30N4O2S |
|---|---|
| Molecular Weight | 486.21 g/mol |
| LogP | 5.99684 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.20895 |
| Heavy Atoms | 35 |
| Complexity | 1272.8792 |
Chemical Identifiers
| CAS Number | 539808-95-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)COC4=CC=CC=C4)C |
Product Overview
2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide (CAS 539808-95-2), with molecular formula C28H30N4O2S and molecular weight 486.21 g/mol. IUPAC: 2-[[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide
Property Insights of 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide
The XLogP value of 5.99684 indicates that 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide has 0 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-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide?
The CAS number of 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide is 539808-95-2.
What is the molecular formula of 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide?
The molecular formula of 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide is C28H30N4O2S.
What is the molecular weight of 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide?
The molecular weight of 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide is 486.21 g/mol.
Where can I buy 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide?
You can request a quote for 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.