p-Isopropenylacetophenone
TL;DR: p-Isopropenylacetophenone (CAS 5359-04-6) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-prop-1-en-2-ylphenyl)ethanone
Also Known As: p-Isopropenylacetophenone, isopropenylacetophenone, Ethanone, 1-[4-(1-methylethenyl)phenyl]-, 1-(4-(Prop-1-en-2-yl)phenyl)ethanone, Acetophenone, 4'-isopropenyl-
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 5359-04-6 |
|---|---|
| SMILES | CC(=C)C1=CC=C(C=C1)C(=O)C |
| InChIKey | WMVUYUVKNFDYAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Isopropenylacetophenone (CAS 5359-04-6), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 1-(4-prop-1-en-2-ylphenyl)ethanone.
Chemical Property Profile of p-Isopropenylacetophenone
Property Insights of p-Isopropenylacetophenone
The XLogP value of 3.1 indicates that p-Isopropenylacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, p-Isopropenylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Isopropenylacetophenone has 0 hydrogen bond donor(s) and 1 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 p-Isopropenylacetophenone?
The CAS number of p-Isopropenylacetophenone is 5359-04-6.
What is the molecular formula of p-Isopropenylacetophenone?
The molecular formula of p-Isopropenylacetophenone is C11H12O.
What is the molecular weight of p-Isopropenylacetophenone?
The molecular weight of p-Isopropenylacetophenone is 160.09 g/mol.
Where can I buy p-Isopropenylacetophenone?
You can request a quote for p-Isopropenylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Isopropenylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for p-Isopropenylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.