2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester
TL;DR: 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester (CAS 55044-76-3) is a chemical compound with molecular formula C10H9ClN4O2 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chlorophenyl)tetrazole-5-carboxylate
Also Known As: 2-2h-tetrazole-5-carboxylicacidethylester, 2- -2H-tetrazole-5-carboxylicacidethylester, Ethyl 2-(3-chlorophenyl)-2H-tetraazole-5-carboxylate, ethyl 2-(3-chlorophenyl)tetrazole-5-carboxylate, 2-(3-Chloro-phenyl)-2H-tetrazole-5-carboxylic acid ethyl ester
| Molecular Formula | C10H9ClN4O2 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.0414 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 55044-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN(N=N1)C2=CC(=CC=C2)Cl |
| InChIKey | BFKQKRPAXTWNQJ-UHFFFAOYSA-N |
Product Overview
2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester (CAS 55044-76-3), with molecular formula C10H9ClN4O2 and molecular weight 252.04 g/mol. IUPAC: ethyl 2-(3-chlorophenyl)tetrazole-5-carboxylate.
Chemical Property Profile of 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester
Property Insights of 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester
The XLogP value of 3.0 indicates that 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester. Following Lipinski's Rule of Five, 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester 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 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester?
The CAS number of 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester is 55044-76-3.
What is the molecular formula of 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester?
The molecular formula of 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester is C10H9ClN4O2.
What is the molecular weight of 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester?
The molecular weight of 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester is 252.04 g/mol.
Where can I buy 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester?
You can request a quote for 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-Tetrazole-5-carboxylic acid, 2-(3-chlorophenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.