Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate
TL;DR: Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate (CAS 41249-76-7) is a chemical compound with molecular formula C19H17N3O2S and molecular weight 351.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
Also Known As: ChemDiv1_021343, AURORA 15129, ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate, BAS 01119347, BIM-0034121.P001
| Molecular Formula | C19H17N3O2S |
|---|---|
| Molecular Weight | 351.10 g/mol |
| LogP | 3.8608 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.10416 |
| Heavy Atoms | 25 |
| Complexity | 841.80273 |
Chemical Identifiers
| CAS Number | 41249-76-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate (CAS 41249-76-7), with molecular formula C19H17N3O2S and molecular weight 351.10 g/mol. IUPAC: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate
Property Insights of Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate
The XLogP value of 3.8608 indicates that Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate has 0 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 Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate?
The CAS number of Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate is 41249-76-7.
What is the molecular formula of Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate?
The molecular formula of Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate is C19H17N3O2S.
What is the molecular weight of Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate?
The molecular weight of Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate is 351.10 g/mol.
Where can I buy Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate?
You can request a quote for Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.