(E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one
TL;DR: (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one (CAS 1005587-69-8) is a chemical compound with molecular formula C15H14N2O3 and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one
Also Known As: (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one, 1-benzo[1,3]dioxol-5-yl-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one, (2E)-1-(1,3-benzodioxol-5-yl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)-2-propen-1-one, (2E)-1-(1,3-benzodioxol-5-yl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)prop-2-en-1-one, (E)-1-(1,3-BENZODIOXOL-5-YL)-3-(1,3-DIMETHYL-1H-PYRAZOL-5-YL)-2-PROPEN-1-ONE
| Molecular Formula | C15H14N2O3 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 2.35332 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.10043 |
| Heavy Atoms | 20 |
| Complexity | 701.13934 |
Chemical Identifiers
| CAS Number | 1005587-69-8 |
|---|---|
| SMILES | CC1=NN(C(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)C |
Product Overview
(E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one (CAS 1005587-69-8), with molecular formula C15H14N2O3 and molecular weight 270.10 g/mol. IUPAC: (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one
Property Insights of (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one
The XLogP value of 2.35332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 53.35 Ų, (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-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 (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one?
The CAS number of (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one is 1005587-69-8.
What is the molecular formula of (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one?
The molecular formula of (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one is C15H14N2O3.
What is the molecular weight of (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one?
The molecular weight of (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one is 270.10 g/mol.
Where can I buy (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one?
You can request a quote for (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-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 (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.