ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate
TL;DR: ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate (CAS 6636-12-0) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenyl-1H-1,2,4-triazole-5-carboxylate
Also Known As: ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate, ethyl 3-phenyl-1H-1,2,4-triazole-5-carboxylate, 5-Phenyl-pyrrol-2-carbonsaeure, ethyl 5-phenyl-1h-1,2,4-triazole-3-carboxylate, 5-PHENYL-TRIAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.6484 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 478.9847 |
Chemical Identifiers
| CAS Number | 6636-12-0 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NN1)C2=CC=CC=C2 |
Product Overview
ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate (CAS 6636-12-0), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: ethyl 3-phenyl-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate
Property Insights of ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate
The XLogP value of 1.6484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-phenyl-4H-1,2,4-triazole-3-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-phenyl-4H-1,2,4-triazole-3-carboxylate?
The CAS number of ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate is 6636-12-0.
What is the molecular formula of ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate?
The molecular formula of ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate is C11H11N3O2.
What is the molecular weight of ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate?
The molecular weight of ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate is 217.09 g/mol.
Where can I buy ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate?
You can request a quote for ethyl 5-phenyl-4H-1,2,4-triazole-3-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-phenyl-4H-1,2,4-triazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-phenyl-4H-1,2,4-triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.