![2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide structure](/static/products/874/874803-36-8.png)
2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
TL;DR: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide (CAS 874803-36-8) is a chemical compound with molecular formula C15H19ClN4OS and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
Also Known As: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide, 2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide, 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
| Molecular Formula | C15H19ClN4OS |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 3.096 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.0968 |
| Heavy Atoms | 22 |
| Complexity | 654.74207 |
Chemical Identifiers
| CAS Number | 874803-36-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)Cl |
Product Overview
2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide (CAS 874803-36-8), with molecular formula C15H19ClN4OS and molecular weight 338.10 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Property Insights of 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
The XLogP value of 3.096 indicates that 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[5-(3-chlorophenyl)-4-methyl-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-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
The CAS number of 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide is 874803-36-8.
What is the molecular formula of 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
The molecular formula of 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide is C15H19ClN4OS.
What is the molecular weight of 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
The molecular weight of 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide is 338.10 g/mol.
Where can I buy 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
You can request a quote for 2-{[5-(3-chlorophenyl)-4-methyl-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-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(3-chlorophenyl)-4-methyl-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.