![ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate structure](/static/products/862/862127-58-0.png)
ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
TL;DR: ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate (CAS 862127-58-0) is a chemical compound with molecular formula C20H28N4O3S and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate, ethyl 2-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-[[2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
| Molecular Formula | C20H28N4O3S |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 3.0339 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.1882 |
| Heavy Atoms | 28 |
| Complexity | 809.8486 |
Chemical Identifiers
| CAS Number | 862127-58-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC(=O)OCC)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate (CAS 862127-58-0), with molecular formula C20H28N4O3S and molecular weight 404.19 g/mol. IUPAC: ethyl 2-[[2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Property Insights of ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
The XLogP value of 3.0339 indicates that ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate. Following Lipinski's Rule of Five, ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate 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
Frequently Asked Questions
What is the CAS number of ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
The CAS number of ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate is 862127-58-0.
What is the molecular formula of ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
The molecular formula of ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate is C20H28N4O3S.
What is the molecular weight of ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
The molecular weight of ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate is 404.19 g/mol.
Where can I buy ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
You can request a quote for ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.