Ethyl(1-methyl-1h-tetrazol-5-yl)acetate
TL;DR: Ethyl(1-methyl-1h-tetrazol-5-yl)acetate (CAS 5332-86-5) is a chemical compound with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-methyltetrazol-5-yl)acetate
Also Known As: ethyl(1-methyl-1h-tetrazol-5-yl)acetate, ethyl 2-(1-methyltetrazol-5-yl)acetate, Ethyl 1-Methyl-5-tetrazolylacetate, ethyl (1-methyl-1H-tetrazol-5-yl)acetate, 1H-TETRAZOLE-5-ACETICACID, 1-METHYL-, ETHYL ESTER
| Molecular Formula | C6H10N4O2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.08037 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 5332-86-5 |
|---|---|
| SMILES | CCOC(=O)CC1=NN=NN1C |
| InChIKey | HLBZHKKLMFWCSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl(1-methyl-1h-tetrazol-5-yl)acetate (CAS 5332-86-5), with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol. IUPAC: ethyl 2-(1-methyltetrazol-5-yl)acetate.
Chemical Property Profile of Ethyl(1-methyl-1h-tetrazol-5-yl)acetate
Property Insights of Ethyl(1-methyl-1h-tetrazol-5-yl)acetate
The XLogP value of -0.2 indicates that Ethyl(1-methyl-1h-tetrazol-5-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl(1-methyl-1h-tetrazol-5-yl)acetate. Following Lipinski's Rule of Five, Ethyl(1-methyl-1h-tetrazol-5-yl)acetate has 0 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(1-methyl-1h-tetrazol-5-yl)acetate?
The CAS number of Ethyl(1-methyl-1h-tetrazol-5-yl)acetate is 5332-86-5.
What is the molecular formula of Ethyl(1-methyl-1h-tetrazol-5-yl)acetate?
The molecular formula of Ethyl(1-methyl-1h-tetrazol-5-yl)acetate is C6H10N4O2.
What is the molecular weight of Ethyl(1-methyl-1h-tetrazol-5-yl)acetate?
The molecular weight of Ethyl(1-methyl-1h-tetrazol-5-yl)acetate is 170.08 g/mol.
Where can I buy Ethyl(1-methyl-1h-tetrazol-5-yl)acetate?
You can request a quote for Ethyl(1-methyl-1h-tetrazol-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(1-methyl-1h-tetrazol-5-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(1-methyl-1h-tetrazol-5-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.