ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate
TL;DR: ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate (CAS 866136-08-5) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetate
Also Known As: ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate, Ethyl 2-(5-phenyl-1H-1,2,4-triazol-3-yl)acetate, ethyl 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetate, 5-phenyl-1H-1,2,4-Triazole-3-acetic acid ethyl ester, ethyl (3-phenyl-1H-1,2,4-triazol-5-yl)acetate
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.5773 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 493.46167 |
Chemical Identifiers
| CAS Number | 866136-08-5 |
|---|---|
| SMILES | CCOC(=O)CC1=NC(=NN1)C2=CC=CC=C2 |
Product Overview
ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate (CAS 866136-08-5), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: ethyl 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetate.
Chemical Property Profile of ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate
Property Insights of ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate
The XLogP value of 1.5773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate 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 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate?
The CAS number of ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate is 866136-08-5.
What is the molecular formula of ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate?
The molecular formula of ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate is C12H13N3O2.
What is the molecular weight of ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate?
The molecular weight of ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate is 231.10 g/mol.
Where can I buy ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate?
You can request a quote for ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.