![2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone structure](/static/products/5407/540775-05-1.webp)
2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
TL;DR: 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone (CAS 540775-05-1) is a chemical compound with molecular formula C21H20BrN3OS2 and molecular weight 473.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone, 1-(4-BROMOPHENYL)-2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-(PROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHAN-1-ONE, 1-(4-bromophenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 2-((4-Allyl-5-(((4-methylphenyl)sulfanyl)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-1-(4-bromophenyl)ethanone, 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-bromophenyl)ethanone
| Molecular Formula | C21H20BrN3OS2 |
|---|---|
| Molecular Weight | 473.02 g/mol |
| LogP | 5.80232 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.02313 |
| Heavy Atoms | 28 |
| Complexity | 952.787 |
Chemical Identifiers
| CAS Number | 540775-05-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone (CAS 540775-05-1), with molecular formula C21H20BrN3OS2 and molecular weight 473.02 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Property Insights of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
The XLogP value of 5.80232 indicates that 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-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-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-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-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone 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-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
The CAS number of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone is 540775-05-1.
What is the molecular formula of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
The molecular formula of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone is C21H20BrN3OS2.
What is the molecular weight of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
The molecular weight of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone is 473.02 g/mol.
Where can I buy 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
You can request a quote for 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-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-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-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.