(1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate
TL;DR: (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate (CAS 338757-36-1) is a chemical compound with molecular formula C17H12F3N3O2 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyltriazol-4-yl)methyl 3-(trifluoromethyl)benzoate
Also Known As: 5F-359S, (1-phenyltriazol-4-yl)methyl 3-(trifluoromethyl)benzoate, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzoate, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl3-(trifluoromethyl)benzoate
| Molecular Formula | C17H12F3N3O2 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 3.6431 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.08817 |
| Heavy Atoms | 25 |
| Complexity | 876.0995 |
Chemical Identifiers
| CAS Number | 338757-36-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(N=N2)COC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
(1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate (CAS 338757-36-1), with molecular formula C17H12F3N3O2 and molecular weight 347.09 g/mol. IUPAC: (1-phenyltriazol-4-yl)methyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate
Property Insights of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate
The XLogP value of 3.6431 indicates that (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate 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 (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate?
The CAS number of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate is 338757-36-1.
What is the molecular formula of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular formula of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate is C17H12F3N3O2.
What is the molecular weight of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular weight of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate is 347.09 g/mol.
Where can I buy (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate?
You can request a quote for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.