Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
TL;DR: Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- (CAS 127399-28-4) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
Also Known As: Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-, 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole, 2-((4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone, Ethanone, 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-1-phenyl-
| Molecular Formula | C16H14N4OS |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.08884 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 127399-28-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)C3=CC=CC=C3 |
| InChIKey | VKLDNKBLEHARNJ-UHFFFAOYSA-N |
Product Overview
Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- (CAS 127399-28-4), with molecular formula C16H14N4OS and molecular weight 310.09 g/mol. IUPAC: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
Property Insights of Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
The XLogP value of 3.1 indicates that Ethanone, 2-((4-amino-5-phenyl-4H-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 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-. Following Lipinski's Rule of Five, Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- has 1 hydrogen bond donor(s) and 5 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-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-?
The CAS number of Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- is 127399-28-4.
What is the molecular formula of Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-?
The molecular formula of Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- is C16H14N4OS.
What is the molecular weight of Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-?
The molecular weight of Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- is 310.09 g/mol.
Where can I buy Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-?
You can request a quote for Ethanone, 2-((4-amino-5-phenyl-4H-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-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.