![ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate structure](/static/products/860/860612-53-9.png)
ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate
TL;DR: ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate (CAS 860612-53-9) is a chemical compound with molecular formula C17H23N3O3 and molecular weight 317.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate
Also Known As: ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate, ethyl 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate, ethyl 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate, Ethyl [4-(4-tert-butylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate, ethyl2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
| Molecular Formula | C17H23N3O3 |
|---|---|
| Molecular Weight | 317.17 g/mol |
| LogP | 2.20302 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.17395 |
| Heavy Atoms | 23 |
| Complexity | 748.8713 |
Chemical Identifiers
| CAS Number | 860612-53-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate (CAS 860612-53-9), with molecular formula C17H23N3O3 and molecular weight 317.17 g/mol. IUPAC: ethyl 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate.
Chemical Property Profile of ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate
Property Insights of ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate
The XLogP value of 2.20302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-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-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate. Following Lipinski's Rule of Five, ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-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-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate?
The CAS number of ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate is 860612-53-9.
What is the molecular formula of ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate?
The molecular formula of ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate is C17H23N3O3.
What is the molecular weight of ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate?
The molecular weight of ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate is 317.17 g/mol.
Where can I buy ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate?
You can request a quote for ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-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-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-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.