![{5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone structure](/static/products/4778/477847-96-4.webp)
{5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone
TL;DR: {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone (CAS 477847-96-4) is a chemical compound with molecular formula C16H11F3N4O2 and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]-pyridin-4-ylmethanone
Also Known As: {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone, 4-{5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carbonyl}pyridine, 10P-735, [5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]-pyridin-4-ylmethanone, [5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]-(4-pyridyl)methanone
| Molecular Formula | C16H11F3N4O2 |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 3.10032 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0834 |
| Heavy Atoms | 25 |
| Complexity | 889.99335 |
Chemical Identifiers
| CAS Number | 477847-96-4 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=CC=NC=C3 |
Product Overview
{5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone (CAS 477847-96-4), with molecular formula C16H11F3N4O2 and molecular weight 348.08 g/mol. IUPAC: [5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone
Property Insights of {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone
The XLogP value of 3.10032 indicates that {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone. Following Lipinski's Rule of Five, {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone 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
Frequently Asked Questions
What is the CAS number of {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone?
The CAS number of {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone is 477847-96-4.
What is the molecular formula of {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone?
The molecular formula of {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone is C16H11F3N4O2.
What is the molecular weight of {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone?
The molecular weight of {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone is 348.08 g/mol.
Where can I buy {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone?
You can request a quote for {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for {5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.