![2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide structure](/static/products/6798/679822-83-4.webp)
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide
TL;DR: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide (CAS 679822-83-4) is a chemical compound with molecular formula C14H18FN5OS and molecular weight 323.12 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,N-diethylacetamide
Also Known As: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide, 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide, 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide, 2-{[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
| Molecular Formula | C14H18FN5OS |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.1216 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 679822-83-4 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)F |
| InChIKey | LVOGOCJFCUYRJW-UHFFFAOYSA-N |
Product Overview
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide (CAS 679822-83-4), with molecular formula C14H18FN5OS and molecular weight 323.12 g/mol. IUPAC: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide
Property Insights of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide. The TPSA of 102.0 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,N-diethylacetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide has 1 hydrogen bond donor(s) and 6 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,N-diethylacetamide?
The CAS number of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide is 679822-83-4.
What is the molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide?
The molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide is C14H18FN5OS.
What is the molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide?
The molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide is 323.12 g/mol.
Where can I buy 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide?
You can request a quote for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide 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,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.