![2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide structure](/static/products/900/900273-37-2.png)
2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
TL;DR: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide (CAS 900273-37-2) is a chemical compound with molecular formula C21H23ClN4OS and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
Also Known As: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide, 2-((5-(3-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide, 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N,N-diethyla cetamide, 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide, 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
| Molecular Formula | C21H23ClN4OS |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 4.85662 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.1281 |
| Heavy Atoms | 28 |
| Complexity | 951.2944 |
Chemical Identifiers
| CAS Number | 900273-37-2 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC(=CC=C3)Cl |
Product Overview
2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide (CAS 900273-37-2), with molecular formula C21H23ClN4OS and molecular weight 414.13 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Property Insights of 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
The XLogP value of 4.85662 indicates that 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
The CAS number of 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide is 900273-37-2.
What is the molecular formula of 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
The molecular formula of 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide is C21H23ClN4OS.
What is the molecular weight of 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
The molecular weight of 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide is 414.13 g/mol.
Where can I buy 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
You can request a quote for 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-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-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-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.