ethyl 2-(1H-1,2,4-triazol-5-yl)acetate
TL;DR: ethyl 2-(1H-1,2,4-triazol-5-yl)acetate (CAS 23159-61-7) is a chemical compound with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1H-1,2,4-triazol-5-yl)acetate
Also Known As: ethyl 2-(1H-1,2,4-triazol-5-yl)acetate, ethyl 1H-1,2,4-triazol-5-ylacetate, Ethyl 2-(1,2,4-Triazol-5-yl)acetate, Fmoc-D-Asn(Trt)-OH, ethyl 2-(4H-1,2,4-triazol-3-yl)acetate
| Molecular Formula | C6H9N3O2 |
|---|---|
| Molecular Weight | 155.07 g/mol |
| LogP | -0.0897 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.06947 |
| Heavy Atoms | 11 |
| Complexity | 219.74109 |
Chemical Identifiers
| CAS Number | 23159-61-7 |
|---|---|
| SMILES | CCOC(=O)CC1=NC=NN1 |
Product Overview
ethyl 2-(1H-1,2,4-triazol-5-yl)acetate (CAS 23159-61-7), with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol. IUPAC: ethyl 2-(1H-1,2,4-triazol-5-yl)acetate.
Chemical Property Profile of ethyl 2-(1H-1,2,4-triazol-5-yl)acetate
Property Insights of ethyl 2-(1H-1,2,4-triazol-5-yl)acetate
The XLogP value of -0.0897 indicates that ethyl 2-(1H-1,2,4-triazol-5-yl)acetate 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 2-(1H-1,2,4-triazol-5-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(1H-1,2,4-triazol-5-yl)acetate 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 2-(1H-1,2,4-triazol-5-yl)acetate?
The CAS number of ethyl 2-(1H-1,2,4-triazol-5-yl)acetate is 23159-61-7.
What is the molecular formula of ethyl 2-(1H-1,2,4-triazol-5-yl)acetate?
The molecular formula of ethyl 2-(1H-1,2,4-triazol-5-yl)acetate is C6H9N3O2.
What is the molecular weight of ethyl 2-(1H-1,2,4-triazol-5-yl)acetate?
The molecular weight of ethyl 2-(1H-1,2,4-triazol-5-yl)acetate is 155.07 g/mol.
Where can I buy ethyl 2-(1H-1,2,4-triazol-5-yl)acetate?
You can request a quote for ethyl 2-(1H-1,2,4-triazol-5-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1H-1,2,4-triazol-5-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1H-1,2,4-triazol-5-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.