3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde
TL;DR: 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde (CAS 879996-58-4) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde, 3-(4-Ethoxy-phenyl)-1H-pyrazole-4-carbaldehyde, 5-(4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde, BAS 10141307, 3-(4-ethoxyphenyl)pyrazole-4-carbaldehyde
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.2879 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 474.01892 |
Chemical Identifiers
| CAS Number | 879996-58-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(C=NN2)C=O |
Product Overview
3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde (CAS 879996-58-4), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 5-(4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde
Property Insights of 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde
The XLogP value of 2.2879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde. With a topological polar surface area (TPSA) of 54.98 Ų, 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde has 1 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 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde?
The CAS number of 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde is 879996-58-4.
What is the molecular formula of 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde?
The molecular formula of 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde is C12H12N2O2.
What is the molecular weight of 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde?
The molecular weight of 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde is 216.09 g/mol.
Where can I buy 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde?
You can request a quote for 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethoxyphenyl)-1H-pyrazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.