2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone
TL;DR: 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 618441-36-4) is a chemical compound with molecular formula C24H19BrClN3O2S and molecular weight 527.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone, 2-({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-chlorophenyl)ethanone, 2-((4-(2-Bromophenyl)-5-((4-methylphenoxy)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-1-(4-chlorophenyl)ethanone, 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone, 644-761-2
| Molecular Formula | C24H19BrClN3O2S |
|---|---|
| Molecular Weight | 527.01 g/mol |
| LogP | 6.54562 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.007 |
| Heavy Atoms | 32 |
| Complexity | 1226.9902 |
Chemical Identifiers
| CAS Number | 618441-36-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3Br)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 618441-36-4), with molecular formula C24H19BrClN3O2S and molecular weight 527.01 g/mol. IUPAC: 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone
Property Insights of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone
The XLogP value of 6.54562 indicates that 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone 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-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)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-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
The CAS number of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone is 618441-36-4.
What is the molecular formula of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular formula of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone is C24H19BrClN3O2S.
What is the molecular weight of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular weight of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone is 527.01 g/mol.
Where can I buy 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
You can request a quote for 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)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-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.