1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester
TL;DR: 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester (CAS 91173-78-3) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1H-1,2,4-triazole-3,5-dicarboxylate
Also Known As: diethyl 1H-1,2,4-triazole-3,5-dicarboxylate, 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester, 3,5-diethoxycarbonyl-1,2,4-triazole, BAS 03662526, diethyl 4H-1,2,4-triazole-3,5-dicarboxylate
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 0.1581 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 328.02368 |
Chemical Identifiers
| CAS Number | 91173-78-3 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NN1)C(=O)OCC |
Product Overview
1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester (CAS 91173-78-3), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: diethyl 1H-1,2,4-triazole-3,5-dicarboxylate.
Chemical Property Profile of 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester
Property Insights of 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester
The XLogP value of 0.1581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester has 1 hydrogen bond donor(s) and 6 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 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester?
The CAS number of 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester is 91173-78-3.
What is the molecular formula of 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester?
The molecular formula of 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester is C8H11N3O4.
What is the molecular weight of 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester?
The molecular weight of 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester is 213.07 g/mol.
Where can I buy 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester?
You can request a quote for 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3,5-dicarboxylic acid, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.