![methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate structure](/static/products/882/882144-81-2.png)
methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate
TL;DR: methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate (CAS 882144-81-2) is a chemical compound with molecular formula C18H14N6O3S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-1H-1,2,4-triazole-5-carboxylate
Also Known As: methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate, methyl 3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-1H-1,2,4-triazole-5-carboxylate, methyl 5-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamido)-1H-1,2,4-triazole-3-carboxylate
| Molecular Formula | C18H14N6O3S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.7578 |
| Topological Polar Surface Area | 114.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.0848 |
| Heavy Atoms | 28 |
| Complexity | 1117.6304 |
Chemical Identifiers
| CAS Number | 882144-81-2 |
|---|---|
| SMILES | COC(=O)C1=NC(=NN1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 |
Product Overview
methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate (CAS 882144-81-2), with molecular formula C18H14N6O3S and molecular weight 394.08 g/mol. IUPAC: methyl 3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate
Property Insights of methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate
The XLogP value of 2.7578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate. The TPSA of 114.79 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate 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 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate?
The CAS number of methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate is 882144-81-2.
What is the molecular formula of methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate?
The molecular formula of methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate is C18H14N6O3S.
What is the molecular weight of methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate?
The molecular weight of methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate is 394.08 g/mol.
Where can I buy methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate?
You can request a quote for methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]carbonyl}amino)-1H-1,2,4-triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.