ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate
TL;DR: ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate (CAS 94565-25-0) is a chemical compound with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-2H-triazole-4-carboxylate
Also Known As: Ethyl 5-bromo-2H-triazole-4-carboxylate, ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate, ethyl 5-bromo-2H-1,2,3-triazole-4-carboxylate, ETHYL 4-BROMO-1H-1,2,3-TRIAZOLE-5-CARBOXYLATE, 1H-1,2,3-Triazole-4-carboxylic acid, 5-bromo-, ethyl ester
| Molecular Formula | C5H6BrN3O2 |
|---|---|
| Molecular Weight | 218.96 g/mol |
| LogP | 0.7439 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.96434 |
| Heavy Atoms | 11 |
| Complexity | 259.98514 |
Chemical Identifiers
| CAS Number | 94565-25-0 |
|---|---|
| SMILES | CCOC(=O)C1=NNN=C1Br |
Product Overview
ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate (CAS 94565-25-0), with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol. IUPAC: ethyl 5-bromo-2H-triazole-4-carboxylate.
Chemical Property Profile of ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate
Property Insights of ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 0.7439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-bromo-1H-1,2,3-triazole-4-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 5-bromo-1H-1,2,3-triazole-4-carboxylate?
The CAS number of ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate is 94565-25-0.
What is the molecular formula of ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate is C5H6BrN3O2.
What is the molecular weight of ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate is 218.96 g/mol.
Where can I buy ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-bromo-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.