![Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate structure](/static/products/736/73605-91-1.png)
Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate
TL;DR: Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate (CAS 73605-91-1) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2H-benzotriazole-5-carboxylate
Also Known As: ETHYL 1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBOXYLATE, Ethyl benzotriazole-5-carboxylate, Ethyl 2H-benzotriazole-5-carboxylate, ETHYL 1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE, 1H-BENZOTRIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 1.1346 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 463.77994 |
Chemical Identifiers
| CAS Number | 73605-91-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=NNN=C2C=C1 |
Product Overview
Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate (CAS 73605-91-1), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: ethyl 2H-benzotriazole-5-carboxylate.
Chemical Property Profile of Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate
Property Insights of Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate
The XLogP value of 1.1346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate 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 1H-benzo[D][1,2,3]triazole-5-carboxylate?
The CAS number of Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate is 73605-91-1.
What is the molecular formula of Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate?
The molecular formula of Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate is C9H9N3O2.
What is the molecular weight of Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate?
The molecular weight of Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate is 191.07 g/mol.
Where can I buy Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate?
You can request a quote for Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1H-benzo[D][1,2,3]triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.