ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
TL;DR: ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 849032-38-8) is a chemical compound with molecular formula C21H28N4O3S and molecular weight 416.19 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-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-(2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-(2-{5-[4-(tert-butyl)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acet ylamino)acetate, ethyl 2-[[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate, ethyl N-({[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
| Molecular Formula | C21H28N4O3S |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.1882 |
| Heavy Atoms | 29 |
| Complexity | 853.80145 |
Chemical Identifiers
| CAS Number | 849032-38-8 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 849032-38-8), with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol. IUPAC: ethyl 2-[[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
Property Insights of ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
The XLogP value of 3.2 indicates that ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-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 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-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
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The CAS number of ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 849032-38-8.
What is the molecular formula of ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular formula of ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is C21H28N4O3S.
What is the molecular weight of ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular weight of ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 416.19 g/mol.
Where can I buy ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
You can request a quote for ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.