Ethyl 1H-tetrazole-5-acetate
TL;DR: Ethyl 1H-tetrazole-5-acetate (CAS 13616-37-0) is a chemical compound with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2H-tetrazol-5-yl)acetate
Also Known As: Ethyl 1H-tetrazole-5-acetate, ethyl 2-(2H-tetrazol-5-yl)acetate, Not Available, ethyl 5-tetrazolylacetate, ethyl 2H-tetrazol-5-ylacetate
| Molecular Formula | C5H8N4O2 |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.06473 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 13616-37-0 |
|---|---|
| SMILES | CCOC(=O)CC1=NNN=N1 |
| InChIKey | NAOHMNNTUFFTBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1H-tetrazole-5-acetate (CAS 13616-37-0), with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol. IUPAC: ethyl 2-(2H-tetrazol-5-yl)acetate.
Chemical Property Profile of Ethyl 1H-tetrazole-5-acetate
Property Insights of Ethyl 1H-tetrazole-5-acetate
The XLogP value of -0.3 indicates that Ethyl 1H-tetrazole-5-acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1H-tetrazole-5-acetate. Following Lipinski's Rule of Five, Ethyl 1H-tetrazole-5-acetate has 1 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 1H-tetrazole-5-acetate?
The CAS number of Ethyl 1H-tetrazole-5-acetate is 13616-37-0.
What is the molecular formula of Ethyl 1H-tetrazole-5-acetate?
The molecular formula of Ethyl 1H-tetrazole-5-acetate is C5H8N4O2.
What is the molecular weight of Ethyl 1H-tetrazole-5-acetate?
The molecular weight of Ethyl 1H-tetrazole-5-acetate is 156.06 g/mol.
Where can I buy Ethyl 1H-tetrazole-5-acetate?
You can request a quote for Ethyl 1H-tetrazole-5-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1H-tetrazole-5-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1H-tetrazole-5-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.