Ethyl 1H-1,2,3-triazole-5-carboxylate
TL;DR: Ethyl 1H-1,2,3-triazole-5-carboxylate (CAS 632365-54-9) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2H-triazole-4-carboxylate
Also Known As: ethyl 1H-1,2,3-triazole-4-carboxylate, ethyl 2H-1,2,3-triazole-4-carboxylate, ethyl 1H-1,2,3-triazole-5-carboxylate, ethyl 2H-triazole-4-carboxylate, ethyl 1,2,3-triazole-4-carboxylate
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | -0.0186 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 206.67746 |
Chemical Identifiers
| CAS Number | 632365-54-9 |
|---|---|
| SMILES | CCOC(=O)C1=NNN=C1 |
Product Overview
Ethyl 1H-1,2,3-triazole-5-carboxylate (CAS 632365-54-9), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: ethyl 2H-triazole-4-carboxylate.
Chemical Property Profile of Ethyl 1H-1,2,3-triazole-5-carboxylate
Property Insights of Ethyl 1H-1,2,3-triazole-5-carboxylate
The XLogP value of -0.0186 indicates that Ethyl 1H-1,2,3-triazole-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1H-1,2,3-triazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 1H-1,2,3-triazole-5-carboxylate has 1 hydrogen bond donor(s) and 4 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 1H-1,2,3-triazole-5-carboxylate?
The CAS number of Ethyl 1H-1,2,3-triazole-5-carboxylate is 632365-54-9.
What is the molecular formula of Ethyl 1H-1,2,3-triazole-5-carboxylate?
The molecular formula of Ethyl 1H-1,2,3-triazole-5-carboxylate is C5H7N3O2.
What is the molecular weight of Ethyl 1H-1,2,3-triazole-5-carboxylate?
The molecular weight of Ethyl 1H-1,2,3-triazole-5-carboxylate is 141.05 g/mol.
Where can I buy Ethyl 1H-1,2,3-triazole-5-carboxylate?
You can request a quote for Ethyl 1H-1,2,3-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 1H-1,2,3-triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1H-1,2,3-triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.