4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole
TL;DR: 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole (CAS 587001-94-3) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4-allyl-3-(benzylthio)-5-(2-furyl)-4h-1,2,4-triazole, 4-Allyl-3-(benzylthio)-5-(furan-2-yl)-4H-1,2,4-triazole, 4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl benzyl sulfide, 3-benzylsulfanyl-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole, 3-(benzylsulfanyl)-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 4.0164 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 704.46954 |
Chemical Identifiers
| CAS Number | 587001-94-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=CO3 |
Product Overview
4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole (CAS 587001-94-3), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 3-benzylsulfanyl-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole
Property Insights of 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole
The XLogP value of 4.0164 indicates that 4-Allyl-3-(benzylthio)-5-(2-furyl)-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-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Allyl-3-(benzylthio)-5-(2-furyl)-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-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole?
The CAS number of 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole is 587001-94-3.
What is the molecular formula of 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole?
The molecular formula of 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole is C16H15N3OS.
What is the molecular weight of 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole?
The molecular weight of 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole is 297.09 g/mol.
Where can I buy 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole?
You can request a quote for 4-Allyl-3-(benzylthio)-5-(2-furyl)-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-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.