2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone
TL;DR: 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone (CAS 385787-69-9) is a chemical compound with molecular formula C17H15N3OS2 and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-phenyl-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, AF-399/40891842, 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-PHENYLETHANONE, 1-phenyl-2-(4-prop-2-enyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))ethan-1-one
| Molecular Formula | C17H15N3OS2 |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 4.1676 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.06564 |
| Heavy Atoms | 23 |
| Complexity | 794.62506 |
Chemical Identifiers
| CAS Number | 385787-69-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CS3 |
Product Overview
2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone (CAS 385787-69-9), with molecular formula C17H15N3OS2 and molecular weight 341.07 g/mol. IUPAC: 1-phenyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone
Property Insights of 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone
The XLogP value of 4.1676 indicates that 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-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-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
The CAS number of 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone is 385787-69-9.
What is the molecular formula of 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
The molecular formula of 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone is C17H15N3OS2.
What is the molecular weight of 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
The molecular weight of 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone is 341.07 g/mol.
Where can I buy 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
You can request a quote for 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-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-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.