![2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide structure](/static/products/862/862127-85-3.png)
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
TL;DR: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide (CAS 862127-85-3) is a chemical compound with molecular formula C20H22N4OS and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
Also Known As: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide, 2-(4,5-diphenyl(1,2,4-triazol-3-ylthio))-N,N-diethylacetamide, 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
| Molecular Formula | C20H22N4OS |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.15143 |
| Heavy Atoms | 26 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 862127-85-3 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | OKRKODCRISDLLB-UHFFFAOYSA-N |
Product Overview
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide (CAS 862127-85-3), with molecular formula C20H22N4OS and molecular weight 366.15 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
Property Insights of 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
The XLogP value of 3.9 indicates that 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide. Following Lipinski's Rule of Five, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide has 0 hydrogen bond donor(s) and 4 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 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide?
The CAS number of 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide is 862127-85-3.
What is the molecular formula of 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide?
The molecular formula of 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide is C20H22N4OS.
What is the molecular weight of 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide?
The molecular weight of 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide is 366.15 g/mol.
Where can I buy 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide?
You can request a quote for 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.