![methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate structure](/static/products/3039/303995-97-3.webp)
methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate (CAS 303995-97-3) is a chemical compound with molecular formula C14H12F3N3O4 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate
Also Known As: methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate, Methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoro-methyl)phenyl]-1H-1,2,3-triazole-4-carboxylate, Methyl 5-(methoxycarbonylmethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate, methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate, methylmethoxyoxoethyltrifluoromethylphenyltriazolecarboxylate
| Molecular Formula | C14H12F3N3O4 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 1.7882 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.078 |
| Heavy Atoms | 24 |
| Complexity | 770.8654 |
Chemical Identifiers
| CAS Number | 303995-97-3 |
|---|---|
| SMILES | COC(=O)CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC |
Product Overview
methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate (CAS 303995-97-3), with molecular formula C14H12F3N3O4 and molecular weight 343.08 g/mol. IUPAC: methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate.
Chemical Property Profile of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.7882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate has 0 hydrogen bond donor(s) and 6 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 methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate is 303995-97-3.
What is the molecular formula of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate is C14H12F3N3O4.
What is the molecular weight of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate is 343.08 g/mol.
Where can I buy methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-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 methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.