![ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate structure](/static/products/840/840499-25-4.png)
ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
TL;DR: ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate (CAS 840499-25-4) is a chemical compound with molecular formula C16H21N5O4S and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate, ethyl 2-(2-((4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-{2-[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetylamino}acet ate, ethyl 2-[[2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
| Molecular Formula | C16H21N5O4S |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 0.829 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.13144 |
| Heavy Atoms | 26 |
| Complexity | 764.84845 |
Chemical Identifiers
| CAS Number | 840499-25-4 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NCC(=O)OCC |
Product Overview
ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate (CAS 840499-25-4), with molecular formula C16H21N5O4S and molecular weight 379.13 g/mol. IUPAC: ethyl 2-[[2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Property Insights of ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
The XLogP value of 0.829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate. The TPSA of 121.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate. Following Lipinski's Rule of Five, ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate has 2 hydrogen bond donor(s) and 8 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-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
The CAS number of ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate is 840499-25-4.
What is the molecular formula of ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
The molecular formula of ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate is C16H21N5O4S.
What is the molecular weight of ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
The molecular weight of ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate is 379.13 g/mol.
Where can I buy ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
You can request a quote for ethyl N-({[4-amino-5-(3-ethoxyphenyl)-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-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.