![1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/4620/462095-39-2.webp)
1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 462095-39-2) is a chemical compound with molecular formula C14H16BrN3OS and molecular weight 353.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-Bromophenyl)-2-[(3-butyl-1H-1,2,4-triazol-5-yl)thio]ethanone, 1-(4-bromophenyl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-BROMOPHENYL)-2-[(5-BUTYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-ETHANONE, 1-(4-Bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
| Molecular Formula | C14H16BrN3OS |
|---|---|
| Molecular Weight | 353.02 g/mol |
| LogP | 3.8848 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.01974 |
| Heavy Atoms | 20 |
| Complexity | 568.0529 |
Chemical Identifiers
| CAS Number | 462095-39-2 |
|---|---|
| SMILES | CCCCC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)Br |
Product Overview
1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 462095-39-2), with molecular formula C14H16BrN3OS and molecular weight 353.02 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 3.8848 indicates that 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone has 1 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 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is 462095-39-2.
What is the molecular formula of 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is C14H16BrN3OS.
What is the molecular weight of 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is 353.02 g/mol.
Where can I buy 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.