3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid
TL;DR: 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid (CAS 956779-02-5) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoic acid, 3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid, (2E)-3-(1-benzyl-3-phenyl-1H-pyrazol-4-yl)acrylic acid
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.6962 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 821.09064 |
Chemical Identifiers
| CAS Number | 956779-02-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C=CC(=O)O |
Product Overview
3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid (CAS 956779-02-5), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: 3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid
Property Insights of 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid
The XLogP value of 3.6962 indicates that 3-(1-Benzyl-3-phenyl-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-phenyl-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-phenyl-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-phenyl-pyrazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid is 956779-02-5.
What is the molecular formula of 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid is C19H16N2O2.
What is the molecular weight of 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid is 304.12 g/mol.
Where can I buy 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(1-Benzyl-3-phenyl-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-phenyl-pyrazol-4-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.