ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
TL;DR: ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 861628-40-2) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-{2-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetylamino}ace tate, ethyl N-({[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate, ethyl 2-(2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Technical Specifications
| Molecular Formula | C21H22N4O3S |
| Molecular Weight | 410.14127 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.14127 Da |
| Heavy Atoms | 29 |
| Complexity | 536.0 |
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C |
| InChIKey | CRFHXPBUISSNRA-UHFFFAOYSA-N |
Product Description
Applications: AC1N28UE is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N28UE (CAS 861628-40-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1N28UE is a fine chemical identified by CAS number 861628-40-2 and the molecular formula C21H22N4O3S and a molecular weight of 410.14 g/mol. It is also known as ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate and ethyl 2-{2-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetylamino}ace tate.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
Property Insights of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
The XLogP value of 3.6 indicates that ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The CAS number of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 861628-40-2.
What is the molecular formula of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular formula of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is C21H22N4O3S.
What is the molecular weight of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular weight of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 410.14127 g/mol.
What are the applications of ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
AC1N28UE is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N28UE (CAS 861628-40-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
You can request a quote for ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.