1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 539809-23-9) is a chemical compound with molecular formula C24H21ClN4O2S and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone, 1-(4-CHLOROPHENYL)-2-((5-((4-METHOXYANILINO)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ETHANONE, 1-(4-CHLOROPHENYL)-2-[(5-{[(4-METHOXYPHENYL)AMINO]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHAN-1-ONE, 1-(4-chlorophenyl)-2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C24H21ClN4O2S |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 5.5164 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.10736 |
| Heavy Atoms | 32 |
| Complexity | 1179.117 |
Chemical Identifiers
| CAS Number | 539809-23-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 539809-23-9), with molecular formula C24H21ClN4O2S and molecular weight 464.11 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 5.5164 indicates that 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone has 1 hydrogen bond donor(s) and 6 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-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone is 539809-23-9.
What is the molecular formula of 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone is C24H21ClN4O2S.
What is the molecular weight of 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone is 464.11 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-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-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-((5-(((4-methoxyphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.