![(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid structure](/static/products/1006/1006463-87-1.webp)
(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
TL;DR: (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 1006463-87-1) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid, (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid, (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoic acid, (2E)-3-(1-benzyl-3-thien-2-yl-1H-pyrazol-4-yl)acrylic acid, (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 3.7577 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 789.4455 |
Chemical Identifiers
| CAS Number | 1006463-87-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)O |
Product Overview
(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 1006463-87-1), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
Property Insights of (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
The XLogP value of 3.7577 indicates that (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-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, (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid 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 (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The CAS number of (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid is 1006463-87-1.
What is the molecular formula of (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular formula of (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid is C17H14N2O2S.
What is the molecular weight of (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular weight of (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid is 310.08 g/mol.
Where can I buy (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid?
You can request a quote for (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-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 (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.