![ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate structure](/static/products/860/860786-32-9.png)
ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
TL;DR: ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate (CAS 860786-32-9) is a chemical compound with molecular formula C13H14FN3O3 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate
Also Known As: ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate, ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate, 12T-0251, ethyl2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
| Molecular Formula | C13H14FN3O3 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 1.04462 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.10193 |
| Heavy Atoms | 20 |
| Complexity | 690.4101 |
Chemical Identifiers
| CAS Number | 860786-32-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC(=CC=C2)F |
Product Overview
ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate (CAS 860786-32-9), with molecular formula C13H14FN3O3 and molecular weight 279.10 g/mol. IUPAC: ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate.
Chemical Property Profile of ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
Property Insights of ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
The XLogP value of 1.04462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[4-(3-fluorophenyl)-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-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[4-(3-fluorophenyl)-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-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The CAS number of ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is 860786-32-9.
What is the molecular formula of ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The molecular formula of ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is C13H14FN3O3.
What is the molecular weight of ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The molecular weight of ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is 279.10 g/mol.
Where can I buy ethyl 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
You can request a quote for ethyl 2-[4-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-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.