2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
TL;DR: 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 577789-32-3) is a chemical compound with molecular formula C14H12FN5O2S and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide, 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, F2649-0156, 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide, 2-(4-amino-5-(2-furyl)(1,2,4-triazol-3-ylthio))-N-(4-fluorophenyl)acetamide
| Molecular Formula | C14H12FN5O2S |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 2.1218 |
| Topological Polar Surface Area | 98.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.06958 |
| Heavy Atoms | 23 |
| Complexity | 801.1993 |
Chemical Identifiers
| CAS Number | 577789-32-3 |
|---|---|
| SMILES | C1=COC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)F |
Product Overview
2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 577789-32-3), with molecular formula C14H12FN5O2S and molecular weight 333.07 g/mol. IUPAC: 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
Property Insights of 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
The XLogP value of 2.1218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide. The TPSA of 98.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide has 2 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-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The CAS number of 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is 577789-32-3.
What is the molecular formula of 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is C14H12FN5O2S.
What is the molecular weight of 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is 333.07 g/mol.
Where can I buy 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-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-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.