1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one (CAS 7166-82-7) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one, 1-benzo[1,3]dioxol-5-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one, 1-(2H-1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.66174 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 744.22064 |
Chemical Identifiers
| CAS Number | 7166-82-7 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C=CC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one (CAS 7166-82-7), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
The XLogP value of 2.66174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 53.35 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one 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-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one is 7166-82-7.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one is C16H16N2O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one is 284.12 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.