![methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate structure](/static/products/879/879438-82-1.png)
methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate
TL;DR: methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate (CAS 879438-82-1) is a chemical compound with molecular formula C14H13ClN6O2S and molecular weight 364.05 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-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate, methyl ({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C14H13ClN6O2S |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 1.9675 |
| Topological Polar Surface Area | 111.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.05093 |
| Heavy Atoms | 24 |
| Complexity | 860.53424 |
Chemical Identifiers
| CAS Number | 879438-82-1 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=C(C=C3)Cl |
Product Overview
methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate (CAS 879438-82-1), with molecular formula C14H13ClN6O2S and molecular weight 364.05 g/mol. IUPAC: methyl 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate
Property Insights of methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate
The XLogP value of 1.9675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate. The TPSA of 111.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate. Following Lipinski's Rule of Five, methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate 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-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate?
The CAS number of methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate is 879438-82-1.
What is the molecular formula of methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate?
The molecular formula of methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate is C14H13ClN6O2S.
What is the molecular weight of methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate?
The molecular weight of methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate is 364.05 g/mol.
Where can I buy methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate?
You can request a quote for methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate 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-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}ac etate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.