Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate
TL;DR: Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate (CAS 895644-91-4) is a chemical compound with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate
Also Known As: diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate, 4,5-diethyl 1-(2-ethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, diethyl 1-(2-ethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, F1609-0268
| Molecular Formula | C16H19N3O5 |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 2.0194 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.13248 |
| Heavy Atoms | 24 |
| Complexity | 726.253 |
Chemical Identifiers
| CAS Number | 895644-91-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=C(N=N2)C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate (CAS 895644-91-4), with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol. IUPAC: diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate.
Chemical Property Profile of Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate
Property Insights of Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate
The XLogP value of 2.0194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate. The TPSA of 92.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate has 0 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-ethoxyphenyl)triazole-4,5-dicarboxylate?
The CAS number of Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate is 895644-91-4.
What is the molecular formula of Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate?
The molecular formula of Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate is C16H19N3O5.
What is the molecular weight of Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate?
The molecular weight of Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate is 333.13 g/mol.
Where can I buy Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate?
You can request a quote for Diethyl 1-(2-ethoxyphenyl)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-ethoxyphenyl)triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-(2-ethoxyphenyl)triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.