![ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate structure](/static/products/866/866149-33-9.png)
ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
TL;DR: ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate (CAS 866149-33-9) is a chemical compound with molecular formula C15H19N3O3 and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-oxo-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]acetate
Also Known As: ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate, 9W-0850, Ethyl 2-[5-oxo-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]acetate, ethyl 2-{5-oxo-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate, ethyl 2-[4-(4-isopropylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetate
| Molecular Formula | C15H19N3O3 |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 1.7205 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.14264 |
| Heavy Atoms | 21 |
| Complexity | 668.21747 |
Chemical Identifiers
| CAS Number | 866149-33-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)N(C=N1)C2=CC=C(C=C2)C(C)C |
Product Overview
ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate (CAS 866149-33-9), with molecular formula C15H19N3O3 and molecular weight 289.14 g/mol. IUPAC: ethyl 2-[5-oxo-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]acetate.
Chemical Property Profile of ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
Property Insights of ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
The XLogP value of 1.7205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[4-(4-isopropylphenyl)-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-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[4-(4-isopropylphenyl)-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-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The CAS number of ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is 866149-33-9.
What is the molecular formula of ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The molecular formula of ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is C15H19N3O3.
What is the molecular weight of ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The molecular weight of ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is 289.14 g/mol.
Where can I buy ethyl 2-[4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
You can request a quote for ethyl 2-[4-(4-isopropylphenyl)-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-isopropylphenyl)-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-isopropylphenyl)-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.