(2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid
TL;DR: (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid (CAS 499134-72-4) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-(1-benzyl-1H-pyrazol-4-yl)prop-2-enoic acid, (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid, (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoic Acid, (2E)-3-(1-benzyl-1H-pyrazol-4-yl)prop-2-enoic acid, 3-(1-Benzyl-1H-pyrazol-4-yl)acrylic acid
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.0292 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 529.3623 |
Chemical Identifiers
| CAS Number | 499134-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)O |
Product Overview
(2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid (CAS 499134-72-4), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid
Property Insights of (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid
The XLogP value of 2.0292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic 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 (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid?
The CAS number of (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid is 499134-72-4.
What is the molecular formula of (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid?
The molecular formula of (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid is C13H12N2O2.
What is the molecular weight of (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid?
The molecular weight of (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid is 228.09 g/mol.
Where can I buy (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid?
You can request a quote for (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1-benzyl-1H-pyrazol-4-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.