Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-
TL;DR: Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- (CAS 140405-99-8) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-, 1-(4-Methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)ethanone, 3-(3,4,5-Trimethoxyphenyl)-5-[(4-methyl-beta-oxophenethyl)thio]-4H-1,2,4-triazole, 1-(4-methylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-Methylphenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.78092 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 944.8322 |
Chemical Identifiers
| CAS Number | 140405-99-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- (CAS 140405-99-8), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 1-(4-methylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-
Property Insights of Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-
The XLogP value of 3.78092 indicates that Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- has 1 hydrogen bond donor(s) and 7 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 Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-?
The CAS number of Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- is 140405-99-8.
What is the molecular formula of Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-?
The molecular formula of Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- is C20H21N3O4S.
What is the molecular weight of Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-?
The molecular weight of Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- is 399.13 g/mol.
Where can I buy Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-?
You can request a quote for Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.