5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 303151-60-2) is a chemical compound with molecular formula C9H9F3N2O2 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-prop-2-enoxy-3-(trifluoromethyl)pyrazole-4-carbaldehyde
Also Known As: 11G-927, 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 1-methyl-5-prop-2-enoxy-3-(trifluoromethyl)pyrazole-4-carbaldehyde, 1-methyl-5-(prop-2-en-1-yloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
| Molecular Formula | C9H9F3N2O2 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 1.8162 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.06161 |
| Heavy Atoms | 16 |
| Complexity | 409.62198 |
Chemical Identifiers
| CAS Number | 303151-60-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=O)OCC=C |
Product Overview
5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 303151-60-2), with molecular formula C9H9F3N2O2 and molecular weight 234.06 g/mol. IUPAC: 1-methyl-5-prop-2-enoxy-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
Chemical Property Profile of 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 1.8162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 44.12 Ų, 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(allyloxy)-1-methyl-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 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is 303151-60-2.
What is the molecular formula of 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is C9H9F3N2O2.
What is the molecular weight of 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is 234.06 g/mol.
Where can I buy 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 5-(allyloxy)-1-methyl-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 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-(allyloxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.