![Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate structure](/static/products/111/111828-09-2.png)
Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 111828-09-2) is a chemical compound with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate, methyl {[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C12H14N4O3S |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 0.9326 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.07867 |
| Heavy Atoms | 20 |
| Complexity | 597.24994 |
Chemical Identifiers
| CAS Number | 111828-09-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)OC |
Product Overview
Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 111828-09-2), with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol. IUPAC: methyl 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 0.9326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]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 Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate is 111828-09-2.
What is the molecular formula of Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate is C12H14N4O3S.
What is the molecular weight of Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate is 294.08 g/mol.
Where can I buy Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methyl 2-[4-amino-5-(4-methoxyphenyl)-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-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.