![1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one structure](/static/products/714/714920-84-0.png)
1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one
TL;DR: 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one (CAS 714920-84-0) is a chemical compound with molecular formula C27H27N3O4S and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one, 2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydroxyphenyl)ethanone, 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone, 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
| Molecular Formula | C27H27N3O4S |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 5.6266 |
| Topological Polar Surface Area | 97.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.17224 |
| Heavy Atoms | 35 |
| Complexity | 1340.6017 |
Chemical Identifiers
| CAS Number | 714920-84-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC(=C(C=C4)O)O |
Product Overview
1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one (CAS 714920-84-0), with molecular formula C27H27N3O4S and molecular weight 489.17 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one
Property Insights of 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one
The XLogP value of 5.6266 indicates that 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one. Following Lipinski's Rule of Five, 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one?
The CAS number of 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one is 714920-84-0.
What is the molecular formula of 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one?
The molecular formula of 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one is C27H27N3O4S.
What is the molecular weight of 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one?
The molecular weight of 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one is 489.17 g/mol.
Where can I buy 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one?
You can request a quote for 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4- triazol-3-ylthio)}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.