![1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](/static/products/714/714931-27-8.png)
1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
TL;DR: 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 714931-27-8) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(3,4-dihydroxyphenyl)-2-((4-methyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone, 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone, 1-(3,4-dihydroxyphenyl)-2-[4-methyl-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio) ]ethan-1-one
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.17672 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 919.8158 |
Chemical Identifiers
| CAS Number | 714931-27-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC(=C(C=C3)O)O |
Product Overview
1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 714931-27-8), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Property Insights of 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
The XLogP value of 3.17672 indicates that 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone has 2 hydrogen bond donor(s) and 6 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 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The CAS number of 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 714931-27-8.
What is the molecular formula of 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular formula of 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is C18H17N3O3S.
What is the molecular weight of 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular weight of 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 355.10 g/mol.
Where can I buy 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
You can request a quote for 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone 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-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.