Propionyl Acetophenone
TL;DR: Propionyl Acetophenone (CAS 5331-64-6) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpentane-1,3-dione
Also Known As: 1-Phenylpentane-1,3-dione, 2-Propionylacetophenone, 1,3-Pentanedione, 1-phenyl-, PROPIONYL ACETOPHENONE, Propionylacetophenon
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 5331-64-6 |
|---|---|
| SMILES | CCC(=O)CC(=O)C1=CC=CC=C1 |
| InChIKey | NKXMBTKMOVMBPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propionyl Acetophenone (CAS 5331-64-6), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 1-phenylpentane-1,3-dione.
Chemical Property Profile of Propionyl Acetophenone
Property Insights of Propionyl Acetophenone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionyl Acetophenone. With a topological polar surface area (TPSA) of 34.1 Ų, Propionyl Acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionyl Acetophenone has 0 hydrogen bond donor(s) and 2 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 Propionyl Acetophenone?
The CAS number of Propionyl Acetophenone is 5331-64-6.
What is the molecular formula of Propionyl Acetophenone?
The molecular formula of Propionyl Acetophenone is C11H12O2.
What is the molecular weight of Propionyl Acetophenone?
The molecular weight of Propionyl Acetophenone is 176.08 g/mol.
Where can I buy Propionyl Acetophenone?
You can request a quote for Propionyl Acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionyl Acetophenone?
Yes, KEHONG BIO provides custom synthesis services for Propionyl Acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.