2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
TL;DR: 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 848987-59-7) is a chemical compound with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone, 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one, 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone, 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-1-(4-methoxyphen yl)ethan-1-one
| Molecular Formula | C22H25N3O2S |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 4.7632 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.16675 |
| Heavy Atoms | 28 |
| Complexity | 954.9421 |
Chemical Identifiers
| CAS Number | 848987-59-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)OC |
Product Overview
2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 848987-59-7), with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
Property Insights of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
The XLogP value of 4.7632 indicates that 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)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-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone has 0 hydrogen bond donor(s) and 5 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 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The CAS number of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is 848987-59-7.
What is the molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is C22H25N3O2S.
What is the molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is 395.17 g/mol.
Where can I buy 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
You can request a quote for 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.