ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate
TL;DR: ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate (CAS 683782-57-2) is a chemical compound with molecular formula C7H10N4O3 and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate
Also Known As: ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate, ethyl 5-(acetylamino)-1H-1,2,4-triazole-3-carboxylate, ethyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate, ethyl3-acetamido-1H-1,2,4-triazole-5-carboxylate, 1H-1,2,4-Triazole-3-carboxylicacid,5-(acetylamino)-,ethylester(9CI)
| Molecular Formula | C7H10N4O3 |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | -0.0602 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.07529 |
| Heavy Atoms | 14 |
| Complexity | 346.45905 |
Chemical Identifiers
| CAS Number | 683782-57-2 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NN1)NC(=O)C |
Product Overview
ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate (CAS 683782-57-2), with molecular formula C7H10N4O3 and molecular weight 198.08 g/mol. IUPAC: ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate
Property Insights of ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate
The XLogP value of -0.0602 indicates that ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate has 2 hydrogen bond donor(s) and 5 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 ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate?
The CAS number of ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate is 683782-57-2.
What is the molecular formula of ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate?
The molecular formula of ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate is C7H10N4O3.
What is the molecular weight of ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate?
The molecular weight of ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate is 198.08 g/mol.
Where can I buy ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate?
You can request a quote for ethyl 3-acetamido-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 ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.