1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 899412-61-4) is a chemical compound with molecular formula C24H19Cl2N3O2S and molecular weight 483.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone, 1-(4-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(4-chlorophenyl)-2-{4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl](1,2,4-tri azol-3-ylthio)}ethan-1-one
| Molecular Formula | C24H19Cl2N3O2S |
|---|---|
| Molecular Weight | 483.06 g/mol |
| LogP | 6.43652 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.0575 |
| Heavy Atoms | 32 |
| Complexity | 1207.7402 |
Chemical Identifiers
| CAS Number | 899412-61-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 899412-61-4), with molecular formula C24H19Cl2N3O2S and molecular weight 483.06 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 6.43652 indicates that 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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, 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 899412-61-4.
What is the molecular formula of 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C24H19Cl2N3O2S.
What is the molecular weight of 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 483.06 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.