![3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid structure](/static/products/956/956747-08-3.png)
3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid
TL;DR: 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid (CAS 956747-08-3) is a chemical compound with molecular formula C21H20N2O2 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid
Also Known As: 3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid, (2E)-3-[1-benzyl-3-(4-ethylphenyl)-1H-pyrazol-4-yl]acrylic acid, (2E)-3-[1-benzyl-3-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
| Molecular Formula | C21H20N2O2 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 4.2586 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.15247 |
| Heavy Atoms | 25 |
| Complexity | 878.01935 |
Chemical Identifiers
| CAS Number | 956747-08-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)O)CC3=CC=CC=C3 |
Product Overview
3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid (CAS 956747-08-3), with molecular formula C21H20N2O2 and molecular weight 332.15 g/mol. IUPAC: 3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid
Property Insights of 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid
The XLogP value of 4.2586 indicates that 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid?
The CAS number of 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid is 956747-08-3.
What is the molecular formula of 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid?
The molecular formula of 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid is C21H20N2O2.
What is the molecular weight of 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid?
The molecular weight of 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid is 332.15 g/mol.
Where can I buy 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid?
You can request a quote for 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-Benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.