3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
TL;DR: 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole (CAS 331982-72-0) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
Also Known As: BIM-0042775.P001, 3-(furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole, 5-(2-furyl)-3-methylthio-4-phenyl-1,2,4-triazole, 3-(furan-2-yl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole, 3-(furan-2-yl)-5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 3.2492 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 631.5723 |
Chemical Identifiers
| CAS Number | 331982-72-0 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3 |
Product Overview
3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole (CAS 331982-72-0), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 3-(furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
Property Insights of 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
The XLogP value of 3.2492 indicates that 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole has 0 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 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole?
The CAS number of 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole is 331982-72-0.
What is the molecular formula of 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole?
The molecular formula of 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole is C13H11N3OS.
What is the molecular weight of 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole?
The molecular weight of 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole is 257.06 g/mol.
Where can I buy 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole?
You can request a quote for 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Furan-2-yl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.