2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone
TL;DR: 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone (CAS 849017-41-0) is a chemical compound with molecular formula C21H16FN3O2S and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C21H16FN3O2S |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 4.7005 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.09473 |
| Heavy Atoms | 28 |
| Complexity | 1078.2509 |
Chemical Identifiers
| CAS Number | 849017-41-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4F |
Product Overview
2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone (CAS 849017-41-0), with molecular formula C21H16FN3O2S and molecular weight 393.09 g/mol. IUPAC: 2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone
Property Insights of 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone
The XLogP value of 4.7005 indicates that 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone has 0 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-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The CAS number of 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone is 849017-41-0.
What is the molecular formula of 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The molecular formula of 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone is C21H16FN3O2S.
What is the molecular weight of 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The molecular weight of 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone is 393.09 g/mol.
Where can I buy 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
You can request a quote for 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.