5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde (CAS 1044511-73-0) is a chemical compound with molecular formula C12H11FN2O2 and molecular weight 234.08046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde, 5-(4-Ethoxy-3-fluoro-phenyl)-1h-pyrazole-4-carbaldehyde, BB 0249182, 3-(4-Ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde, 5-(4-Ethoxy-3-fluoro-phenyl)-1H-pyrazole-4-c arbaldehyde
Technical Specifications
| Molecular Formula | C12H11FN2O2 |
| Molecular Weight | 234.08046 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.08046 Da |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
| SMILES | CCOC1=C(C=C(C=C1)C2=C(C=NN2)C=O)F |
| InChIKey | ZSSGTYSQPWHWHL-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 55.0 Ų, 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde is 1044511-73-0.
What is the molecular formula of 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde is C12H11FN2O2.
What is the molecular weight of 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde is 234.08046 g/mol.
Where can I buy 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 5-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.