1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 449778-73-8) is a chemical compound with molecular formula C13H11F3N2O2 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
Also Known As: 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 1-Methyl-5-(p-tolyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 1-methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)pyrazole-4-carbaldehyde, 1T-0329, methylmethylphenoxytrifluoromethylpyrazolecarbaldehyde
| Molecular Formula | C13H11F3N2O2 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 3.35212 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.07727 |
| Heavy Atoms | 20 |
| Complexity | 630.3012 |
Chemical Identifiers
| CAS Number | 449778-73-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=C(C(=NN2C)C(F)(F)F)C=O |
Product Overview
1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 449778-73-8), with molecular formula C13H11F3N2O2 and molecular weight 284.08 g/mol. IUPAC: 1-methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
Chemical Property Profile of 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 3.35212 indicates that 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde has 0 hydrogen bond donor(s) and 3 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-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is 449778-73-8.
What is the molecular formula of 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is C13H11F3N2O2.
What is the molecular weight of 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is 284.08 g/mol.
Where can I buy 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(4-methylphenoxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.