1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
TL;DR: 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide (CAS 720672-84-4) is a chemical compound with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-yl-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
Also Known As: 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide, AE-848/42278449, furan-2-yl-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone, 2-furanyl-[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]methanone, 2-furyl-[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]methanone
| Molecular Formula | C14H11N3O2S |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.9485 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0572 |
| Heavy Atoms | 20 |
| Complexity | 720.2292 |
Chemical Identifiers
| CAS Number | 720672-84-4 |
|---|---|
| SMILES | CSC1=NC(=NN1C(=O)C2=CC=CO2)C3=CC=CC=C3 |
Product Overview
1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide (CAS 720672-84-4), with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol. IUPAC: furan-2-yl-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone.
Chemical Property Profile of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
Property Insights of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
The XLogP value of 2.9485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide. Following Lipinski's Rule of Five, 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide 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 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
The CAS number of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide is 720672-84-4.
What is the molecular formula of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
The molecular formula of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide is C14H11N3O2S.
What is the molecular weight of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
The molecular weight of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide is 285.06 g/mol.
Where can I buy 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
You can request a quote for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.