![1-[3-(2-thienyl)acryloyl]-1H-pyrazole structure](/static/products/544/544667-13-2.png)
1-[3-(2-thienyl)acryloyl]-1H-pyrazole
TL;DR: 1-[3-(2-thienyl)acryloyl]-1H-pyrazole (CAS 544667-13-2) is a chemical compound with molecular formula C10H8N2OS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one
Also Known As: 1-[3-(2-thienyl)acryloyl]-1H-pyrazole, (E)-1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one, (2E)-1-pyrazolyl-3-(2-thienyl)prop-2-en-1-one, (2E)-1-(1H-pyrazol-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
| Molecular Formula | C10H8N2OS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.2982 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.03574 |
| Heavy Atoms | 14 |
| Complexity | 428.65234 |
Chemical Identifiers
| CAS Number | 544667-13-2 |
|---|---|
| SMILES | C1=CN(N=C1)C(=O)/C=C/C2=CC=CS2 |
Product Overview
1-[3-(2-thienyl)acryloyl]-1H-pyrazole (CAS 544667-13-2), with molecular formula C10H8N2OS and molecular weight 204.04 g/mol. IUPAC: (E)-1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of 1-[3-(2-thienyl)acryloyl]-1H-pyrazole
Property Insights of 1-[3-(2-thienyl)acryloyl]-1H-pyrazole
The XLogP value of 2.2982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(2-thienyl)acryloyl]-1H-pyrazole. With a topological polar surface area (TPSA) of 34.89 Ų, 1-[3-(2-thienyl)acryloyl]-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(2-thienyl)acryloyl]-1H-pyrazole has 0 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 1-[3-(2-thienyl)acryloyl]-1H-pyrazole?
The CAS number of 1-[3-(2-thienyl)acryloyl]-1H-pyrazole is 544667-13-2.
What is the molecular formula of 1-[3-(2-thienyl)acryloyl]-1H-pyrazole?
The molecular formula of 1-[3-(2-thienyl)acryloyl]-1H-pyrazole is C10H8N2OS.
What is the molecular weight of 1-[3-(2-thienyl)acryloyl]-1H-pyrazole?
The molecular weight of 1-[3-(2-thienyl)acryloyl]-1H-pyrazole is 204.04 g/mol.
Where can I buy 1-[3-(2-thienyl)acryloyl]-1H-pyrazole?
You can request a quote for 1-[3-(2-thienyl)acryloyl]-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(2-thienyl)acryloyl]-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(2-thienyl)acryloyl]-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.