![ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate structure](/static/products/843/843632-91-7.png)
ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate
TL;DR: ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate (CAS 843632-91-7) is a chemical compound with molecular formula C21H21ClN4O3S and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate, ethyl 2-(2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate, ethyl N-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
| Molecular Formula | C21H21ClN4O3S |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 3.66752 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.1023 |
| Heavy Atoms | 30 |
| Complexity | 1019.73566 |
Chemical Identifiers
| CAS Number | 843632-91-7 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl |
Product Overview
ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate (CAS 843632-91-7), with molecular formula C21H21ClN4O3S and molecular weight 444.10 g/mol. IUPAC: ethyl 2-[[2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate
Property Insights of ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate
The XLogP value of 3.66752 indicates that ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}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-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate. Following Lipinski's Rule of Five, ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}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-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate?
The CAS number of ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate is 843632-91-7.
What is the molecular formula of ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate?
The molecular formula of ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate is C21H21ClN4O3S.
What is the molecular weight of ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate?
The molecular weight of ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate is 444.10 g/mol.
Where can I buy ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate?
You can request a quote for ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}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-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{2-[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acety lamino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.