![2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone structure](/static/products/7130/713098-25-0.webp)
2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
TL;DR: 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone (CAS 713098-25-0) is a chemical compound with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Also Known As: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone, 2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
| Molecular Formula | C19H18BrN3OS |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 4.6263 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.0354 |
| Heavy Atoms | 25 |
| Complexity | 846.8656 |
Chemical Identifiers
| CAS Number | 713098-25-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3 |
Product Overview
2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone (CAS 713098-25-0), with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol. IUPAC: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone.
Chemical Property Profile of 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Property Insights of 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
The XLogP value of 4.6263 indicates that 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone 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-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone 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 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
The CAS number of 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone is 713098-25-0.
What is the molecular formula of 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
The molecular formula of 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone is C19H18BrN3OS.
What is the molecular weight of 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
The molecular weight of 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone is 415.04 g/mol.
Where can I buy 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
You can request a quote for 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone 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-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.