Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-
TL;DR: Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- (CAS 140406-06-0) is a chemical compound with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
Also Known As: Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-, 2-((5-(1,3-Benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)ethanone, 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone, 3-(3,4-Methylenedioxyphenyl)-5-[(4-methyl-beta-oxophenethyl)thio]-4H-1,2,4-triazole, 2-{[5-(2H-1,3-Benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
| Molecular Formula | C18H15N3O3S |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 3.48382 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.0834 |
| Heavy Atoms | 25 |
| Complexity | 921.5707 |
Chemical Identifiers
| CAS Number | 140406-06-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC4=C(C=C3)OCO4 |
Product Overview
Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- (CAS 140406-06-0), with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone.
Chemical Property Profile of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-
Property Insights of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-
The XLogP value of 3.48382 indicates that Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-. Following Lipinski's Rule of Five, Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- has 1 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 Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-?
The CAS number of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- is 140406-06-0.
What is the molecular formula of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-?
The molecular formula of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- is C18H15N3O3S.
What is the molecular weight of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-?
The molecular weight of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- is 353.08 g/mol.
Where can I buy Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-?
You can request a quote for Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.