N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861119-84-8) is a chemical compound with molecular formula C25H22F2N4O3S and molecular weight 496.13806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4-difluorophenyl)-2-[[4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,4-difluorophenyl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(3,4-difluorophenyl)-2-[[4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3,4-difluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-difluorophenyl)-2-{4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2, 4-triazol-3-ylthio)}acetamide
Technical Specifications
| Molecular Formula | C25H22F2N4O3S |
| Molecular Weight | 496.13806 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.13806 Da |
| Heavy Atoms | 35 |
| Complexity | 665.0 |
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC(=C(C=C4)F)F |
| InChIKey | DQVRIYYNYKNXAN-UHFFFAOYSA-N |
Chemical Property Profile of N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 4.9 indicates that N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 861119-84-8.
What is the molecular formula of N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C25H22F2N4O3S.
What is the molecular weight of N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 496.13806 g/mol.
Where can I buy N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(3,4-difluorophenyl)-2-((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.