methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 879463-98-6) is a chemical compound with molecular formula C15H16N6O2S and molecular weight 344.11 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-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-{4-amino-5-[3-(4-methylphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate, methyl ({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C15H16N6O2S |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 1.62252 |
| Topological Polar Surface Area | 111.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.10553 |
| Heavy Atoms | 24 |
| Complexity | 855.2339 |
Chemical Identifiers
| CAS Number | 879463-98-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)OC |
Product Overview
methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 879463-98-6), with molecular formula C15H16N6O2S and molecular weight 344.11 g/mol. IUPAC: methyl 2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 1.62252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate. The TPSA of 111.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate has 2 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-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate is 879463-98-6.
What is the molecular formula of methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate is C15H16N6O2S.
What is the molecular weight of methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate is 344.11 g/mol.
Where can I buy methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)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-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.