![diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate structure](/static/products/4382/438228-58-1.webp)
diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 438228-58-1) is a chemical compound with molecular formula C28H31N5O6 and molecular weight 533.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-[2-[5-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]triazole-4,5-dicarboxylate
Also Known As: diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate, diethyl 1-[2-[5-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]triazole-4,5-dicarboxylate, 4,5-DIETHYL 1-{2-[3-(2,5-DIMETHYLPHENYL)-5-(4-METHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-OXOETHYL}-1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLATE, diethyl 1-(2-(3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
| Molecular Formula | C28H31N5O6 |
|---|---|
| Molecular Weight | 533.23 g/mol |
| LogP | 3.63484 |
| Topological Polar Surface Area | 125.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.2274 |
| Heavy Atoms | 39 |
| Complexity | 1412.2969 |
Chemical Identifiers
| CAS Number | 438228-58-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)OC)C(=O)OCC |
Product Overview
diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 438228-58-1), with molecular formula C28H31N5O6 and molecular weight 533.23 g/mol. IUPAC: diethyl 1-[2-[5-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]triazole-4,5-dicarboxylate.
Chemical Property Profile of diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 3.63484 indicates that diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.21 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate is 438228-58-1.
What is the molecular formula of diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate is C28H31N5O6.
What is the molecular weight of diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate is 533.23 g/mol.
Where can I buy diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.