ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate
TL;DR: ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (CAS 199335-40-5) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetate
Also Known As: ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate, ethyl 2-(5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetate, 6N-027, 4-phenyl-1,2,4-triazolin-5-one-1-acetic acid ethyl ester, ethyl2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 0.5971 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 586.1152 |
Chemical Identifiers
| CAS Number | 199335-40-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)N(C=N1)C2=CC=CC=C2 |
Product Overview
ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (CAS 199335-40-5), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: ethyl 2-(5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetate.
Chemical Property Profile of ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate
Property Insights of ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate
The XLogP value of 0.5971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate has 0 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-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate?
The CAS number of ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate is 199335-40-5.
What is the molecular formula of ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate?
The molecular formula of ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate is C12H13N3O3.
What is the molecular weight of ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate?
The molecular weight of ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate is 247.10 g/mol.
Where can I buy ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate?
You can request a quote for ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-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-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.