![N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/899/899396-97-5.png)
N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 899396-97-5) is a chemical compound with molecular formula C25H23FN4O2S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-dimethylphenyl)-2-((5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,4-dimethylphenyl)-2-[[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3,4-dimethylphenyl)-2-[5-(2-fluorophenyl)-4-(4-methoxyphenyl)(1,2,4-triazol -3-ylthio)]acetamide
| Molecular Formula | C25H23FN4O2S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 5.42964 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.1526 |
| Heavy Atoms | 33 |
| Complexity | 1288.069 |
Chemical Identifiers
| CAS Number | 899396-97-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4F)C |
Product Overview
N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 899396-97-5), with molecular formula C25H23FN4O2S and molecular weight 462.15 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.42964 indicates that N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 899396-97-5.
What is the molecular formula of N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C25H23FN4O2S.
What is the molecular weight of N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 462.15 g/mol.
Where can I buy N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.