4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole
TL;DR: 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole (CAS 728027-99-4) is a chemical compound with molecular formula C20H17N3OS and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-benzylsulfanyl-5-(furan-2-yl)-1,2,4-triazole
Also Known As: 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole, 4-benzyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole, 4-benzyl-3-benzylsulfanyl-5-(2-furyl)-1,2,4-triazole, 4-benzyl-3-benzylsulfanyl-5-(furan-2-yl)-1,2,4-triazole, A3863/0164104
| Molecular Formula | C20H17N3OS |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 4.8787 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.10922 |
| Heavy Atoms | 25 |
| Complexity | 918.26166 |
Chemical Identifiers
| CAS Number | 728027-99-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CO4 |
Product Overview
4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole (CAS 728027-99-4), with molecular formula C20H17N3OS and molecular weight 347.11 g/mol. IUPAC: 4-benzyl-3-benzylsulfanyl-5-(furan-2-yl)-1,2,4-triazole.
Chemical Property Profile of 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Property Insights of 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole
The XLogP value of 4.8787 indicates that 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-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, 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-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 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole?
The CAS number of 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole is 728027-99-4.
What is the molecular formula of 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole?
The molecular formula of 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole is C20H17N3OS.
What is the molecular weight of 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole?
The molecular weight of 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole is 347.11 g/mol.
Where can I buy 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole?
You can request a quote for 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-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 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.