Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester
TL;DR: Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester (CAS 121815-32-5) is a chemical compound with molecular formula C14H14F3N3O3 and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]oxy]propanoate
Also Known As: Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester, ethyl 2-({1-[3-(trifluoromethyl)phenyl]-1h-1,2,4-triazol-3-yl}oxy)propanoate, Ethyl 2-[[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]oxy]propanoate, Propanoic acid, 2-[[1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]oxy]-, ethyl ester, Propanoic acid,2-[[1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]oxy]-, ethyl ester
| Molecular Formula | C14H14F3N3O3 |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.09872 |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 121815-32-5 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=NN(C=N1)C2=CC=CC(=C2)C(F)(F)F |
| InChIKey | BPZYQZOVGXDPLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester (CAS 121815-32-5), with molecular formula C14H14F3N3O3 and molecular weight 329.10 g/mol. IUPAC: ethyl 2-[[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]oxy]propanoate.
Chemical Property Profile of Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester
Property Insights of Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester
The XLogP value of 3.5 indicates that Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester has 0 hydrogen bond donor(s) and 8 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 Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
The CAS number of Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester is 121815-32-5.
What is the molecular formula of Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
The molecular formula of Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester is C14H14F3N3O3.
What is the molecular weight of Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
The molecular weight of Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester is 329.10 g/mol.
Where can I buy Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
You can request a quote for Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-((1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.