1H-Tetrazole-5-carboxylic acid, ethyl ester
TL;DR: 1H-Tetrazole-5-carboxylic acid, ethyl ester (CAS 1027136-03-3) is a chemical compound with molecular formula C4H6N4O2 and molecular weight 142.04907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2H-tetrazole-5-carboxylate
Also Known As: Ethyl Tetrazole-5-Carboxylate, Ethyl 1H-tetrazole-5-carboxylate, Ethyl 2H-tetrazole-5-carboxylate, 1H-Tetrazole-5-carboxylic acid ethyl ester, 5-ethoxycarbonyltetrazole
Technical Specifications
| Molecular Formula | C4H6N4O2 |
| Molecular Weight | 142.04907 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.04907 Da |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
| SMILES | CCOC(=O)C1=NNN=N1 |
| InChIKey | JBEHAOGLPHSQSL-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Tetrazole-5-carboxylic acid, ethyl ester
Property Insights of 1H-Tetrazole-5-carboxylic acid, ethyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Tetrazole-5-carboxylic acid, ethyl ester. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Tetrazole-5-carboxylic acid, ethyl ester. Following Lipinski's Rule of Five, 1H-Tetrazole-5-carboxylic acid, ethyl ester 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
What is the CAS number of 1H-Tetrazole-5-carboxylic acid, ethyl ester?
The CAS number of 1H-Tetrazole-5-carboxylic acid, ethyl ester is 1027136-03-3.
What is the molecular formula of 1H-Tetrazole-5-carboxylic acid, ethyl ester?
The molecular formula of 1H-Tetrazole-5-carboxylic acid, ethyl ester is C4H6N4O2.
What is the molecular weight of 1H-Tetrazole-5-carboxylic acid, ethyl ester?
The molecular weight of 1H-Tetrazole-5-carboxylic acid, ethyl ester is 142.04907 g/mol.
Where can I buy 1H-Tetrazole-5-carboxylic acid, ethyl ester?
You can request a quote for 1H-Tetrazole-5-carboxylic acid, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Tetrazole-5-carboxylic acid, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Tetrazole-5-carboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.