![2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/894/894289-33-9.png)
2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 894289-33-9) is a chemical compound with molecular formula C13H13FN4OS and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetamide, 2-{[4-ALLYL-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C13H13FN4OS |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 1.8476 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.0794 |
| Heavy Atoms | 20 |
| Complexity | 623.80145 |
Chemical Identifiers
| CAS Number | 894289-33-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)F |
Product Overview
2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 894289-33-9), with molecular formula C13H13FN4OS and molecular weight 292.08 g/mol. IUPAC: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 1.8476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 4 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-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 894289-33-9.
What is the molecular formula of 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C13H13FN4OS.
What is the molecular weight of 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 292.08 g/mol.
Where can I buy 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-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 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-Fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.