![Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate structure](/static/products/5787/578722-63-1.webp)
Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate
TL;DR: Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate (CAS 578722-63-1) is a chemical compound with molecular formula C19H18BrN5O3S and molecular weight 475.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate, Ethyl 2-[[2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate, ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino }acetate, ethyl 2-(2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-(2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate
| Molecular Formula | C19H18BrN5O3S |
|---|---|
| Molecular Weight | 475.03 g/mol |
| LogP | 2.8632 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.03137 |
| Heavy Atoms | 29 |
| Complexity | 979.26953 |
Chemical Identifiers
| CAS Number | 578722-63-1 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=NC=C3 |
Product Overview
Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate (CAS 578722-63-1), with molecular formula C19H18BrN5O3S and molecular weight 475.03 g/mol. IUPAC: ethyl 2-[[2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate
Property Insights of Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate
The XLogP value of 2.8632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate. Following Lipinski's Rule of Five, Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate has 1 hydrogen bond donor(s) and 7 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-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate?
The CAS number of Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate is 578722-63-1.
What is the molecular formula of Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate?
The molecular formula of Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate is C19H18BrN5O3S.
What is the molecular weight of Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate?
The molecular weight of Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate is 475.03 g/mol.
Where can I buy Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate?
You can request a quote for Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}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-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.