![methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate structure](/static/products/879/879448-74-5.png)
methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate
TL;DR: methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate (CAS 879448-74-5) is a chemical compound with molecular formula C15H16N6O3S and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate, methyl ({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C15H16N6O3S |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 1.3227 |
| Topological Polar Surface Area | 120.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.10046 |
| Heavy Atoms | 25 |
| Complexity | 873.7815 |
Chemical Identifiers
| CAS Number | 879448-74-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)OC |
Product Overview
methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate (CAS 879448-74-5), with molecular formula C15H16N6O3S and molecular weight 360.10 g/mol. IUPAC: methyl 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate
Property Insights of methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate
The XLogP value of 1.3227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate. The TPSA of 120.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate. Following Lipinski's Rule of Five, methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate has 2 hydrogen bond donor(s) and 8 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-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate?
The CAS number of methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate is 879448-74-5.
What is the molecular formula of methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate?
The molecular formula of methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate is C15H16N6O3S.
What is the molecular weight of methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate?
The molecular weight of methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate is 360.10 g/mol.
Where can I buy methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate?
You can request a quote for methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate 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-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}a cetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.