Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl-
TL;DR: Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl- (CAS 140406-03-7) is a chemical compound with molecular formula C17H13N3O3S and molecular weight 339.07 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-phenylethanone
Also Known As: Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl-, 2-((5-(1,3-Benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{[5-(2H-1,3-Benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one, 2-{[5-(2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
| Molecular Formula | C17H13N3O3S |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 3.1754 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.06775 |
| Heavy Atoms | 24 |
| Complexity | 879.7971 |
Chemical Identifiers
| CAS Number | 140406-03-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=NN3)SCC(=O)C4=CC=CC=C4 |
Product Overview
Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl- (CAS 140406-03-7), with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl-
Property Insights of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl-
The XLogP value of 3.1754 indicates that Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl- 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-phenyl-. Following Lipinski's Rule of Five, Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl- 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-phenyl-?
The CAS number of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl- is 140406-03-7.
What is the molecular formula of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl-?
The molecular formula of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl- is C17H13N3O3S.
What is the molecular weight of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl-?
The molecular weight of Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl- is 339.07 g/mol.
Where can I buy Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl-?
You can request a quote for Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl- 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-phenyl-?
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-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.