![2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide structure](/static/products/5855/585556-64-5.webp)
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide
TL;DR: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide (CAS 585556-64-5) is a chemical compound with molecular formula C18H18FN5OS and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Also Known As: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide, 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide, 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide, 2-{[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
| Molecular Formula | C18H18FN5OS |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 3.14564 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.1216 |
| Heavy Atoms | 26 |
| Complexity | 919.0046 |
Chemical Identifiers
| CAS Number | 585556-64-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F)C |
Product Overview
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide (CAS 585556-64-5), with molecular formula C18H18FN5OS and molecular weight 371.12 g/mol. IUPAC: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide
Property Insights of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide
The XLogP value of 3.14564 indicates that 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide?
The CAS number of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide is 585556-64-5.
What is the molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide?
The molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide is C18H18FN5OS.
What is the molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide?
The molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide is 371.12 g/mol.
Where can I buy 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide?
You can request a quote for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,5-dimethylphenyl)a cetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.