![2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone structure](/static/products/5925/592514-99-3.webp)
2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
TL;DR: 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone (CAS 592514-99-3) is a chemical compound with molecular formula C25H23N3O2S and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, AH-487/41736398, 2-{[5-benzyl-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C25H23N3O2S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 5.2318 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.1511 |
| Heavy Atoms | 31 |
| Complexity | 1126.668 |
Chemical Identifiers
| CAS Number | 592514-99-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone (CAS 592514-99-3), with molecular formula C25H23N3O2S and molecular weight 429.15 g/mol. IUPAC: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Property Insights of 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
The XLogP value of 5.2318 indicates that 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone 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-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone?
The CAS number of 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone is 592514-99-3.
What is the molecular formula of 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone?
The molecular formula of 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone is C25H23N3O2S.
What is the molecular weight of 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone?
The molecular weight of 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone is 429.15 g/mol.
Where can I buy 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone?
You can request a quote for 2-[[5-Benzyl-4-(4-ethoxyphenyl)-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-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-Benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.