![diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate structure](/static/products/828/828273-96-7.png)
diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 828273-96-7) is a chemical compound with molecular formula C17H20N4O5 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-[2-(4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
Also Known As: diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate, diethyl 1-[2-(4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate, 4,5-Diethyl 1-[2-[(4-methylphenyl)amino]-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate, Diethyl 1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate, 4,5-DIETHYL 1-{[(4-METHYLPHENYL)CARBAMOYL]METHYL}-1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLATE
| Molecular Formula | C17H20N4O5 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 1.57862 |
| Topological Polar Surface Area | 112.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.14337 |
| Heavy Atoms | 26 |
| Complexity | 797.9846 |
Chemical Identifiers
| CAS Number | 828273-96-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=C(C=C2)C)C(=O)OCC |
Product Overview
diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 828273-96-7), with molecular formula C17H20N4O5 and molecular weight 360.14 g/mol. IUPAC: diethyl 1-[2-(4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate.
Chemical Property Profile of diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 1.57862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 112.41 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate has 1 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 diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate is 828273-96-7.
What is the molecular formula of diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate is C17H20N4O5.
What is the molecular weight of diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate is 360.14 g/mol.
Where can I buy diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for diethyl 1-{2-[(4-methylphenyl)amino]-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-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.