![ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate structure](/static/products/7808/780805-85-8.webp)
ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
TL;DR: ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 780805-85-8) is a chemical compound with molecular formula C12H12FN3O2 and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2-fluorophenyl)methyl]triazole-4-carboxylate
Also Known As: ethyl 1-[(2-fluorophenyl)methyl]triazole-4-carboxylate, F2157-1227, ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C12H12FN3O2 |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 1.6422 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.09135 |
| Heavy Atoms | 18 |
| Complexity | 553.7605 |
Chemical Identifiers
| CAS Number | 780805-85-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN(N=N1)CC2=CC=CC=C2F |
Product Overview
ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 780805-85-8), with molecular formula C12H12FN3O2 and molecular weight 249.09 g/mol. IUPAC: ethyl 1-[(2-fluorophenyl)methyl]triazole-4-carboxylate.
Chemical Property Profile of ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Property Insights of ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.6422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate 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 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The CAS number of ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 780805-85-8.
What is the molecular formula of ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is C12H12FN3O2.
What is the molecular weight of ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 249.09 g/mol.
Where can I buy ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.