![methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/879/879463-52-2.png)
methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 879463-52-2) is a chemical compound with molecular formula C14H14N6O2S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate, Methyl 2-[[4-amino-5-(5-phenyl-2H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetate
| Molecular Formula | C14H14N6O2S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 1.3141 |
| Topological Polar Surface Area | 111.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.0899 |
| Heavy Atoms | 23 |
| Complexity | 813.79913 |
Chemical Identifiers
| CAS Number | 879463-52-2 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=CC=C3 |
Product Overview
methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 879463-52-2), with molecular formula C14H14N6O2S and molecular weight 330.09 g/mol. IUPAC: methyl 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 1.3141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. The TPSA of 111.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 879463-52-2.
What is the molecular formula of methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C14H14N6O2S.
What is the molecular weight of methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 330.09 g/mol.
Where can I buy methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.