![2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide structure](/static/products/7130/713097-98-4.webp)
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
TL;DR: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CAS 713097-98-4) is a chemical compound with molecular formula C22H19ClN6O3S2 and molecular weight 514.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
Also Known As: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide, 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
| Molecular Formula | C22H19ClN6O3S2 |
|---|---|
| Molecular Weight | 514.06 g/mol |
| LogP | 5.68932 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.0649 |
| Heavy Atoms | 34 |
| Complexity | 1353.1863 |
Chemical Identifiers
| CAS Number | 713097-98-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=C(C=C4)Cl |
Product Overview
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CAS 713097-98-4), with molecular formula C22H19ClN6O3S2 and molecular weight 514.06 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
Chemical Property Profile of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
Property Insights of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
The XLogP value of 5.68932 indicates that 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide. Following Lipinski's Rule of Five, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The CAS number of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is 713097-98-4.
What is the molecular formula of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The molecular formula of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is C22H19ClN6O3S2.
What is the molecular weight of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The molecular weight of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is 514.06 g/mol.
Where can I buy 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
You can request a quote for 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.