![2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone structure](/static/products/4969/496971-96-1.webp)
2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
TL;DR: 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 496971-96-1) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone, AO-476/40910131, 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone, 2-((4-allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 3.6991 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 794.62506 |
Chemical Identifiers
| CAS Number | 496971-96-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CO3 |
Product Overview
2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 496971-96-1), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Property Insights of 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
The XLogP value of 3.6991 indicates that 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-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-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone. Following Lipinski's Rule of Five, 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-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-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The CAS number of 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 496971-96-1.
What is the molecular formula of 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular formula of 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is C17H15N3O2S.
What is the molecular weight of 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular weight of 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 325.09 g/mol.
Where can I buy 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
You can request a quote for 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-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-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.