2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
TL;DR: 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide (CAS 442672-36-8) is a chemical compound with molecular formula C17H15FN4O2S and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-fluorophenyl)-2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide, A2852/0120346, 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide, 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
| Molecular Formula | C17H15FN4O2S |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.594 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.08997 |
| Heavy Atoms | 25 |
| Complexity | 876.66754 |
Chemical Identifiers
| CAS Number | 442672-36-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC=CO3 |
Product Overview
2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide (CAS 442672-36-8), with molecular formula C17H15FN4O2S and molecular weight 358.09 g/mol. IUPAC: N-(2-fluorophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
Property Insights of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
The XLogP value of 3.594 indicates that 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide has 1 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-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide?
The CAS number of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide is 442672-36-8.
What is the molecular formula of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide?
The molecular formula of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide is C17H15FN4O2S.
What is the molecular weight of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide?
The molecular weight of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide is 358.09 g/mol.
Where can I buy 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide?
You can request a quote for 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.