![1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole structure](/static/products/543/543721-96-6.png)
1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole
TL;DR: 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole (CAS 543721-96-6) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-1-pyrazol-1-ylprop-2-en-1-one
Also Known As: 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole, (E)-3-(1,3-benzodioxol-5-yl)-1-pyrazol-1-ylprop-2-en-1-one, (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrazol-1-yl)prop-2-en-1-one, (2E)-3-(2H-benzo[d]1,3-dioxolan-5-yl)-1-pyrazolylprop-2-en-1-one
| Molecular Formula | C13H10N2O3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 1.9654 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.06914 |
| Heavy Atoms | 18 |
| Complexity | 602.70386 |
Chemical Identifiers
| CAS Number | 543721-96-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)N3C=CC=N3 |
Product Overview
1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole (CAS 543721-96-6), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-1-pyrazol-1-ylprop-2-en-1-one.
Chemical Property Profile of 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole
Property Insights of 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole
The XLogP value of 1.9654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole. With a topological polar surface area (TPSA) of 53.35 Ų, 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole has 0 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole?
The CAS number of 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole is 543721-96-6.
What is the molecular formula of 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole?
The molecular formula of 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole is C13H10N2O3.
What is the molecular weight of 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole?
The molecular weight of 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole is 242.07 g/mol.
Where can I buy 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole?
You can request a quote for 1-[3-(1,3-benzodioxol-5-yl)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-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1,3-benzodioxol-5-yl)acryloyl]-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.