![(4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone structure](/static/products/861/861207-84-3.png)
(4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone
TL;DR: (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone (CAS 861207-84-3) is a chemical compound with molecular formula C16H12F3N5O2 and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]methanone
Also Known As: (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone, 2-[4-(4-methoxybenzoyl)-1H-1,2,3-triazol-1-yl]-4-methyl-6-(trifluoromethyl)pyrimidine, (4-methoxyphenyl)-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]methanone, 2-[4-(4-methoxybenzoyl)-1,2,3-triazol-1-yl]-4-methyl-6-(trifluoromethyl)pyrimidine
| Molecular Formula | C16H12F3N5O2 |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 2.62412 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.0943 |
| Heavy Atoms | 26 |
| Complexity | 951.2642 |
Chemical Identifiers
| CAS Number | 861207-84-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)OC)C(F)(F)F |
Product Overview
(4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone (CAS 861207-84-3), with molecular formula C16H12F3N5O2 and molecular weight 363.09 g/mol. IUPAC: (4-methoxyphenyl)-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]methanone.
Chemical Property Profile of (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone
Property Insights of (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone
The XLogP value of 2.62412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone. Following Lipinski's Rule of Five, (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone 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 (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone?
The CAS number of (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone is 861207-84-3.
What is the molecular formula of (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone?
The molecular formula of (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone is C16H12F3N5O2.
What is the molecular weight of (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone?
The molecular weight of (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone is 363.09 g/mol.
Where can I buy (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone?
You can request a quote for (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.