Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester
TL;DR: Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester (CAS 12187-14-3) is a chemical compound with molecular formula C13H14ClN3O3 and molecular weight 295.07236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[1-(4-chlorophenyl)-1,2,4-triazol-3-yl]oxy]propanoate
Also Known As: Ethyl 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)propanoate, ethyl 2-{[1-(4-chlorophenyl)-1h-1,2,4-triazol-3-yl]oxy}propanoate, Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester, ethyl 2-[[1-(4-chlorophenyl)-1,2,4-triazol-3-yl]oxy]propanoate, 1-(4-chlorophenyl)-3-(1-ethoxycarbonylethoxy)-1,2,4-1H-triazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H14ClN3O3 |
| Molecular Weight | 295.07236 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.07236 Da |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
| SMILES | CCOC(=O)C(C)OC1=NN(C=N1)C2=CC=C(C=C2)Cl |
| InChIKey | FDOIBGLMQWCNJV-UHFFFAOYSA-N |
Chemical Property Profile of Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester
Property Insights of Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester
The XLogP value of 3.3 indicates that Propanoic acid, 2-((1-(4-chlorophenyl)-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-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
The CAS number of Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester is 12187-14-3.
What is the molecular formula of Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
The molecular formula of Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester is C13H14ClN3O3.
What is the molecular weight of Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
The molecular weight of Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester is 295.07236 g/mol.
Where can I buy Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
You can request a quote for Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 2-((1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl)oxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.