![Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate structure](/static/products/1118/111828-10-5.webp)
Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 111828-10-5) is a chemical compound with molecular formula C11H11ClN4O2S and molecular weight 298.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate, methyl {[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C11H11ClN4O2S |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 1.5774 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0291 |
| Heavy Atoms | 19 |
| Complexity | 584.88116 |
Chemical Identifiers
| CAS Number | 111828-10-5 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl |
Product Overview
Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 111828-10-5), with molecular formula C11H11ClN4O2S and molecular weight 298.03 g/mol. IUPAC: methyl 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 1.5774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]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 Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate is 111828-10-5.
What is the molecular formula of Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate is C11H11ClN4O2S.
What is the molecular weight of Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate is 298.03 g/mol.
Where can I buy Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.