![2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone structure](/static/products/3092/309268-80-2.webp)
2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
TL;DR: 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone (CAS 309268-80-2) is a chemical compound with molecular formula C21H17N3O2S2 and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
Also Known As: 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone, A2066/0086879, 2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-thienyl)ethanone, 2-[4-phenyl-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]-1-(2-thienyl)ethan-1-on e, 2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethanone
| Molecular Formula | C21H17N3O2S2 |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 4.8828 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.07623 |
| Heavy Atoms | 28 |
| Complexity | 1032.23 |
Chemical Identifiers
| CAS Number | 309268-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CS3)COC4=CC=CC=C4 |
Product Overview
2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone (CAS 309268-80-2), with molecular formula C21H17N3O2S2 and molecular weight 407.08 g/mol. IUPAC: 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone.
Chemical Property Profile of 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
Property Insights of 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
The XLogP value of 4.8828 indicates that 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone has 0 hydrogen bond donor(s) and 6 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-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
The CAS number of 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone is 309268-80-2.
What is the molecular formula of 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
The molecular formula of 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone is C21H17N3O2S2.
What is the molecular weight of 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
The molecular weight of 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone is 407.08 g/mol.
Where can I buy 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
You can request a quote for 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.